- Correlation of the rates of solvolysis of 2-furancarbonyl chloride and three naphthoyl chlorides
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The correlations of the specific rates of solvolysis of the title compounds using extended forms of the Grunwald-Winstein equation are consistent with the overall picture which is emerging for acyl chloride solvolyses, with competing addition-elimination (with rate-determining addition) and ionization (assisted by nucleophilic solvation) pathways. Except in the more ionizing solvents of low nucleophilicity, 2-furancarbonyl chloride follows the addition-elimination pathway, in contrast to 2-thiophenecarbonyl chloride. Except in solvents of highest nucleophilicity and low ionizing power, the solvolyses of the naphthoyl chlorides (1-naphthoyl, 2-naphthoyl and 6-methyl-2-naphthoyl) all favor the ionization pathway. In the correlation of the 1-naphthoyl chloride solvolyses, there is a slight improvement when a term governed by the sensitivity to changes in the aromatic ring parameter (hi) is incorporated; this can be associated with a rather minor steric hindrance involving the peri-hydrogen. Copyright
- D'Souza, Malcolm J.,Boggs, Mary E.,Kevill, Dennis N.
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Read Online
- Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates
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Here we describe the discovery of a new class of C-H borylation catalysts and their use for regioselective C-H borylation of aromatic, heteroaromatic, and aliphatic systems. The new catalysts have Ir-C(thienyl) or Ir-C(furyl) anionic ligands instead of the diamine-type neutral chelating ligands used in the standard C-H borylation conditions. It is reported that the employment of these newly discovered catalysts show excellent reactivity and ortho-selectivity for diverse classes of aromatic substrates with high isolated yields. Moreover, the catalysts proved to be efficient for a wide number of aliphatic substrates for selective C(sp3)-H bond borylations. Heterocyclic molecules are selectively borylated using the inherently elevated reactivity of the C-H bonds. A number of late-stage C-H functionalization have been described using the same catalysts. Furthermore, we show that one of the catalysts could be used even in open air for the C(sp2)-H and C(sp3)-H borylations enabling the method more general. Preliminary mechanistic studies suggest that the active catalytic intermediate is the Ir(bis)boryl complex, and the attached ligand acts as bidentate ligand. Collectively, this study underlines the discovery of new class of C-H borylation catalysts that should find wide application in the context of C-H functionalization chemistry.
- Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul
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supporting information
p. 5022 - 5037
(2021/05/04)
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- Design, synthesis, in vitro and in vivo evaluation against MRSA and molecular docking studies of novel pleuromutilin derivatives bearing 1, 3, 4-oxadiazole linker
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A class of pleuromutilin derivatives containing 1, 3, 4-oxadiazole were designed and synthesized as potential antibacterial agents against Methicillin-resistant staphylococcus aureus (MRSA). The ultrasound-assisted reaction was proposed as a green chemistry method to synthesize 1, 3, 4-oxadiazole derivatives (intermediates 85–110). Among these pleuromutilin derivatives, compound 133 was found to be the strongest antibacterial derivative against MRSA (MIC = 0.125 μg/mL). Furthermore, the result of the time-kill curves displayed that compound 133 could inhibit the growth of MRSA in vitro quickly (- 4.36 log10 CFU/mL reduction). Then, compound 133 (- 1.82 log10 CFU/mL) displayed superior in vivo antibacterial efficacy than tiamulin (- 0.82 log10 CFU/mL) in reducing MRSA load in mice thigh model. Besides, compound 133 exhibited low cytotoxicity to RAW 264.7 cells. Molecular docking studies revealed that compound 133 was successfully localized in the binding pocket of 50S ribosomal subunit (ΔGb = -10.50 kcal/mol). The results indicated that these pleuromutilin derivatives containing 1, 3, 4-oxadiazole might be further developed into novel antibiotics against MRSA.
- Liu, Jie,Zhang, Guang-Yu,Zhang, Zhe,Li, Bo,Chai, Fei,Wang, Qi,Zhou, Zi-Dan,Xu, Ling-Ling,Wang, Shou-Kai,Jin, Zhen,Tang, You-Zhi
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- 4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors
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In Gram-negative bacteria, the major mechanism of resistance to β-lactam antibiotics is the production of one or several β-lactamases (BLs), including the highly worrying carbapenemases. Whereas inhibitors of these enzymes were recently marketed, they only target serine-carbapenemases (e.g. KPC-type), and no clinically useful inhibitor is available yet to neutralize the class of metallo-β-lactamases (MBLs). We are developing compounds based on the 1,2,4-triazole-3-thione scaffold, which binds to the di-zinc catalytic site of MBLs in an original fashion, and we previously reported its promising potential to yield broad-spectrum inhibitors. However, up to now only moderate antibiotic potentiation could be observed in microbiological assays and further exploration was needed to improve outer membrane penetration. Here, we synthesized and characterized a series of compounds possessing a diversely functionalized alkyl chain at the 4-position of the heterocycle. We found that the presence of a carboxylic group at the extremity of an alkyl chain yielded potent inhibitors of VIM-type enzymes with Ki values in the μM to sub-μM range, and that this alkyl chain had to be longer or equal to a propyl chain. This result confirmed the importance of a carboxylic function on the 4-substituent of 1,2,4-triazole-3-thione heterocycle. As observed in previous series, active compounds also preferentially contained phenyl, 2-hydroxy-5-methoxyphenyl, naphth-2-yl or m-biphenyl at position 5. However, none efficiently inhibited NDM-1 or IMP-1. Microbiological study on VIM-2-producing E. coli strains and on VIM-1/VIM-4-producing multidrug-resistant K. pneumoniae clinical isolates gave promising results, suggesting that the 1,2,4-triazole-3-thione scaffold worth continuing exploration to further improve penetration. Finally, docking experiments were performed to study the binding mode of alkanoic analogues in the active site of VIM-2.
- Gavara, Laurent,Legru, Alice,Verdirosa, Federica,Sevaille, Laurent,Nauton, Lionel,Corsica, Giuseppina,Mercuri, Paola Sandra,Sannio, Filomena,Feller, Georges,Coulon, Rémi,De Luca, Filomena,Cerboni, Giulia,Tanfoni, Silvia,Chelini, Giulia,Galleni, Moreno,Docquier, Jean-Denis,Hernandez, Jean-Fran?ois
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supporting information
(2021/06/15)
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- Electrodimerization ofN-Alkoxyamides for the Synthesis of Hydrazines
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An efficient and valuable N-N dimerization reaction ofN-alkoxyamides is reported under undivided electrolytic conditions. This electrochemical strategy provides a powerful way to access a wide range of advanced, highly functionalized hydrazines. Remarkably, anN-centered radical generated from the cleavage of the N-H bond under electrolytic conditions plays a crucial role in this transformation. Furthermore, variousN-alkoxyamides bearing different substituents are suitable in this transformation, furnishing the corresponding hydrazines in up to 92% yield.
- Nasier, Abudulajiang,Chang, Xihao,Guo, Chang
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p. 16068 - 16076
(2021/09/18)
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- Study of the oxidative esterification of furfural catalyzed by Au25(glutathione)18 nanocluster deposited on zirconia
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Au/ZrO2 catalyst prepared from Au25(SG)18 nanoclusters (SG stands for glutathione) deposited on ZrO2 has shown to be an efficient system for the oxidative esterification of furfural with methanol. The influence of the supported nanoclusters was studied and showed that partial calcination of the supported nanoclusters at 300 °C was sufficient for a quantitative formation of methyl-2-furoate even in the absence of a base. In the presence of 0.27 mol% of Au, initial activities up to 250 h?1 were obtained at 100 °C under 6 bar of O2. The reactivity was extended to the oxidative esterification of furfuryl alcohol and the formation of various products and intermediates was discussed.
- Shahin, Zahraa,Rataboul, Franck,Demessence, Aude
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- Pleuromutilin derivative with 1, 3, 4-oxadiazole side chain and preparation and application thereof
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The invention belongs to the field of medicinal chemistry, and particularly relates to a pleuromutilin derivative with a 1, 3, 4-oxadiazole side chain and preparation and application thereof The pleuromutilin derivative with the 1, 3, 4-oxadiazole side chain is a compound shown in a formula 2 or a pharmaceutically acceptable salt thereof, and a solvent compound, an enantiomer, a diastereoisomer and a tautomer of the compound shown in the formula 2 or the pharmaceutically acceptable salt thereof or a mixture of the solvent compound, the enantiomer, the diastereoisomer and the tautomer in any proportion, including a racemic mixture. The pleuromutilin derivative has good antibacterial activity, is especially suitable for being used as a novel antibacterial agent for systemic system infection of animals or human beings, and has good water solubility.
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Paragraph 0055-0056; 0070; 0090; 0092; 0095; 0102
(2021/07/24)
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- Manganese-catalysed transfer hydrogenation of esters
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Manganese catalysed ester reduction using ethanol as a hydrogen transfer agent in place of dihydrogen is reported. High yields can be achieved for a range of substrates using 1 mol% of a Mn(i) catalyst, with an alkoxide promoter. The catalyst is derived from a tridentate P,N,N ligand.
- Oates, Conor L.,Widegren, Magnus B.,Clarke, Matthew L.
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supporting information
p. 8635 - 8638
(2020/08/21)
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- Preparation method of furfuryl ester (by machine translation)
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The preparation method comprises the following steps: uniformly mixing furfural, an oxidation esterification catalyst, a cocatalyst and a solvent, and reacting under the condition of an oxygen source for a period of time under a certain temperature and pressure to obtain the furfuryl ester. The method is high in selectivity, few in byproducts and mild in reaction condition, and has a certain industrial application prospect. (by machine translation)
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Paragraph 0023-0025; 0057-0062
(2020/06/22)
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- Construction of Esters through Sulfuryl Fluoride (SO 2 F 2) Mediated Dehydrative Coupling of Carboxylic Acids with Alcohols at Room Temperature
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A facile method for the construction of esters through dehydrative coupling of carboxylic acids with alcohols is developed. The reactions are mediated by sulfuryl fluoride (SO 2 F 2) at room temperature and proceed with high efficiency. The method has several advantages including broad substrate scope, mild conditions, excellent functional group compatibility and affords high yields, even on gram scale.
- Qin, Hua-Li,S Alharbi, Njud,Wang, Shi-Meng
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p. 3901 - 3907
(2019/10/11)
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- Targeting malaria and leishmaniasis: Synthesis and pharmacological evaluation of novel pyrazole-1,3,4-oxadiazole hybrids. Part II
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In continuance with earlier reported work, an extension has been carried out by the same research group. Mulling over the ongoing condition of resistance to existing antimalarial agents, we had reported synthesis and antimalarial activity of certain pyrazole-1,3,4-oxadiazole hybrid compounds. Bearing previous results in mind, our research group ideated to design and synthesize some more derivatives with varied substitutions of acetophenone and hydrazide. Following this, derivatives 5a–r were synthesized and tested for antimalarial efficacy by schizont maturation inhibition assay. Further, depending on the literature support and results of our previous series, certain potent compounds (5f, 5n and 5r) were subjected to Falcipain-2 inhibitory assay. Results obtained for these particular compounds further strengthened our hypothesis. Here, in this series, compound 5f having unsubstituted acetophenone part and a furan moiety linked to oxadiazole ring emerged as the most potent compound and results were found to be comparable to that of the most potent compound (indole bearing) of previous series. Additionally, depending on the available literature, compounds (5a–r) were tested for their antileishmanial potential. Compounds 5a, 5c and 5r demonstrated dose-dependent killing of the promastigotes. Their IC50 values were found to be 33.3 ± 1.68, 40.1 ± 1.0 and 19.0 ± 1.47 μg/mL respectively. These compounds (5a, 5c and 5r) also had effects on amastigote infectivity with IC50 of 44.2 ± 2.72, 66.8 ± 2.05 and 73.1 ± 1.69 μg/mL respectively. Further target validation was done using molecular docking studies. Acute oral toxicity studies for most active compounds were also performed.
- Verma, Garima,Khan, Mohemmed Faraz,Mohan Nainwal, Lalit,Ishaq, Mohd,Akhter, Mymoona,Bakht, Afroz,Anwer, Tariq,Afrin, Farhat,Islamuddin, Mohammad,Husain, Ibraheem,Alam, Mohammad Mumtaz,Shaquiquzzaman, Mohammad
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- ATF6 INHIBITORS AND USES THEREOF
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Compounds as inhibitors of Activating Transcription Factor 6 (ATF6) are provided. The compounds may find use as therapeutic agents for the treatment of diseases or disorders mediated by ATF6 and may find particular use in the treatment of viral infections, neurodegenerative diseases, vascular diseases, or cancer.
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Paragraph 0530
(2019/10/29)
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- Doping Pd/SiO2 with Na+: Changing the reductive etherification of CO to furan ring hydrogenation of furfural in ethanol
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The production of biofuels and chemicals by hydrogenation of furfural has attracted much attention recently. Herein the effect of Na+ doping on the catalytic performance of Pd/SiO2 in hydrogenation and reductive-etherification of furfural in ethanol was systematically studied. Two Pd/SiO2 catalysts with and without the modification by Na+ were prepared by impregnation and calcination. Their catalytic properties were compared for the hydrogenation of furfural and furfural diethyl acetal under mild conditions. The silanol groups on Pd/SiO2 catalysed the acetalization of furfural and alcohol and the resulted acetal underwent hydrogenolysis on Pd nanoparticles (NPs) with an average particle size of 8 nm, leading to a moderate yield (～58%) of furfuryl ethyl ether. Doping Na+ on Pd/SiO2 led to the diminishing of silanol groups as well as strong interaction between Na+ and Pd NPs. No acetalization occurred on Na+ modified Pd/SiO2 due to the exchange of H+ of Si-OH with Na+, thus the reductive etherification of CO group in furfural was completely inhibited. Meanwhile the hydrogenation of furan-ring over Na+ coordinated Pd NPs could proceed with very high selectivity (>90%) forming tetrahydrofurfural in high yield. Kinetics study on the hydrogenation of furfural diethyl acetal over Pd/SiO2 and Na+ doped Pd/SiO2 suggested that the Na+ greatly impeded the hydrogenolysis of C-O-C bond of acetal, while the hydrogenation of the furan ring took place selectively.
- Long, Yinshuang,Wang, Yun,Wu, Haihong,Xue, Teng,Wu, Peng,Guan, Yejun
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p. 25345 - 25350
(2019/08/28)
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- Synthesizing method of furoate compounds
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The invention discloses a synthesizing method of furoate compounds. The synthesizing method of the furoate compounds comprises the following steps of mixing furfural, solvent and oxidizing agent inside a container at a certain temperature for reaction; after reaction is completed, adding water into the reaction system to dissolving the oxidizing agent, and then performing liquid-liquid separationto collect liquid products containing the furoate compounds. The synthesizing method of the furoate compounds is mild in reaction condition, saves catalysts of strong acids and achieves esterificationof the furfural within one step to obtain the furoate compounds, thereby being simple in operation, low in cost, green and environmentally friendly.
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Paragraph 0023-0026; 0029-0030
(2019/04/17)
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- Synthesis, crystal structure and 3D-QSAR studies of antifungal (bis-)1,2,4-triazole Mannich bases containing furyl and substituted piperazine moieties
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A series of novel title compounds 6a-6r and 7a-7c have been synthesized by Mannich reaction of the new triazole Schiff base intermidiates, substituted piperazine and formaldehyde under mild conditions in excellent yields. The crystal structure of compound 6i was determined to show a chair conformation of the piperazine ring and an (E)-configuration of the C[dbnd]N double bond. The bioassay results indicated that most of the newly synthesized compounds exhibited excellent in vitro inhibitory activities and broader spectrum against several plant fungi, and were more effective than the control Triadimefon. Several compounds also displayed favourable in vivo antifungal activities. The relationships between the compound structures and various biological activities were discussed. Furthermore, the CoMFA calculation based on the antifungal activity data of compounds 6 against R. cerealis was carried out to establish a 3D-QSAR model, which revealed that steric and electrostatic fields were two most important factors for contributing the bioactivity of the compounds. The present work will provide significant information for guiding optimization of such new structures to develop novel agrochemicals with higher antifungal activities.
- Zhang, Yan,Zhan, Yi-Zhou,Ma, Yi,Hua, Xue-Wen,Wei, Wei,Zhang, Xiao,Song, Hai-Bin,Li, Zheng-Ming,Wang, Bao-Lei
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p. 441 - 446
(2017/09/18)
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- Facile, highly efficient and environmentally friendly transesterification mediated by platinum dioxide and nickel oxide under essentially neutral conditions
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A practical, facile and highly efficient transesterification reaction under essentially neutral conditions was achieved using platinum dioxide (PtO2) or PtO2/nickel oxide (NiO) as the catalyst. A number of esters and alcohols that contain various functional groups were employed. Good to excellent yields were obtained for different aromatic or aliphatic starting materials. The Pt-alcohol intermediate generated in situ facilitated the exchange of low-alcohol esters to high-alcohol esters.
- Teng, Binhao,Shi, Jiangong,Yao, Chunsuo
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supporting information
p. 2465 - 2471
(2018/06/11)
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- A regulatable oxidative valorization of furfural with aliphatic alcohols catalyzed by functionalized metal-organic frameworks-supported Au nanoparticles
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The oxidative upgrading of furfural (FUR) and aliphatic alcohols is an important way to produce desirable precursor of jet fuel or value-added furanic compound. Therein, developing a highly active catalytic system with switchable product selectivity still remains a challenge. In this work, we report a novel strategy on regulating the oxidative condensation and oxidative esterification of FUR with aliphatic alcohol in the presence of molecular oxygen. Firstly, Au@UiO-66 is prepared using different methods and employed as the catalyst for the oxidative valorization of FUR with methanol. It is found that the impregnation-reduction-H2 (I-H) method is the best where a 100% selectivity of methyl-2-furoate with a complete conversion was obtained using Au@UiO-66 as catalyst. Then, a series of metal-organic frameworks (MOFs) supported Au nanoparticles (Au@UiO-66-X) such as Au@UiO-66, Au@UiO-66-NH2, Au@UiO-66-NO2, Au@UiO-66-COOH and Au@UiO-66-NH3Cl have been prepared with I-H method and employed for oxidative valorization of furfural with ethanol. Experimental results showed that, in “FUR-ethanol-O2” system, the Au@UiO-66-X can efficiently regulate the oxidative condensation and oxidative esterification as two competitive reaction pathways. With Au@UiO-66-COOH as the catalyst, the oxidative condensation process is dominant in which 84.1% selectivity of furan-2-acrolein is attained; Meanwhile, the Au@UiO-66 is beneficial to the occurrence of oxidative esterification and generation of ethyl-2-furoate. At last, based on the catalyst characterization and the numerous control experiments, a possible catalytic reaction mechanism for conversion of FUR is proposed.
- Ning, Liangmin,Liao, Shengyun,Liu, Xuguang,Guo, Pengfei,Zhang, Zhenya,Zhang, Haigang,Tong, Xinli
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- Fe-catalyzed esterification of amides via C-N bond activation
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An efficient Fe-catalyzed esterification of primary, secondary, and tertiary amides with various alcohols for the preparation of esters was performed. The esterification process was accomplished with FeCl3$6H2O, which is a stable, inexpensive, environmentally friendly catalyst with high functional group tolerance.
- Chen, Xiuling,Hu, Siying,Chen, Rongxing,Wang, Jian,Wu, Minghu,Guo, Haibin,Sun, Shaofa
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p. 4571 - 4576
(2018/02/09)
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- Graphene Oxide: An Efficient Acid Catalyst for the Construction of Esters from Acids and Alcohols
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Graphene oxide was found to be an efficient and reusable acid catalyst for the esterification reaction. A wide range of aliphatic and aromatic acids and alcohols were compatible with the standard conditions and afforded the corresponding products in good yields. The heterogeneous catalyst can be easily recovered and recycled in dichloro-ethane solvent with good catalytic activity.
- Chen, Zhengwang,Wen, Yuelu,Fu, Yejuan,Chen, Hai,Ye, Min,Luo, Guotian
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supporting information
p. 981 - 985
(2017/05/05)
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- Noncovalent Interactions in Ir-Catalyzed C-H Activation: L-Shaped Ligand for Para-Selective Borylation of Aromatic Esters
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An efficient strategy for the para-selective borylation of aromatic esters is described. For achieving high para-selectivity, a new catalytic system has been developed modifying the core structure of the bipyridine. It has been proposed that the L-shaped ligand is essential to recognize the functionality of the oxygen atom of the ester carbonyl group via noncovalent interaction, which provides an unprecedented controlling factor for para-selective C-H activation/borylation.
- Hoque, Md Emdadul,Bisht, Ranjana,Haldar, Chabush,Chattopadhyay, Buddhadeb
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supporting information
p. 7745 - 7748
(2017/06/21)
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- Synthesis and study on magnetic resonance imaging performance of Gd(III)-DTPA-bisfuran-2-carbohydrazide as a potential MRI contrast agent
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One novel ligand, diethylenetriamine-N, N?-bi(acetyl-furan-2-carbohydrazide)-N, N?, N?-triacetic acid (H3L), has been synthesized in high yield by the reaction of bicyclic anhydride of diethylenetraiaminepentaacetic acid (DTPA) with furan-2-carbohydrazide. It has three carboxylic groups, and the corresponding nonion complex of Gd(III)-L holding promise of magnetic resonance imaging (MRI) was obtained by treating these ligand with Gd2O3 in water. The efficacy of the contrast agent was assessed by measuring the longitudinal relaxivity (r1) and T1 weighted magnetic resonance imaging in vitro. The r1 of Gd(III)-DTPA-bisfuran-2- carbohydrazide was up to 5.92 mM-1￠s-1, which was 1.27 times higher than that of the analogous MRI contrast agent Gd(III)-DTPA(4.65 mM-1￠s-1) in clinical application. T1 weighted magnetic resonance imaging in vitro showed that proton signal intensity increased with Gd(III) complex concentration and the imaging effect of Gd(III)-DTPA-bisfuran-2-carbohydrazide was superior to that of Gd(III)-DTPA in the same condition. These results showed that the complex might be considered as a potential MRI contrast agent.
- Wan, Fuxian,Zhang, Tiankai,Li, Changcheng,Jiang, Lin
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p. 288 - 293
(2017/08/10)
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- Development of a coumarin-furan conjugate as Zn2 + ratiometric fluorescent probe in ethanol-water system
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In this study, a novel coumarin-derived compound bearing the furan moiety called 7-diethylamino-3-formylcoumarin (2′-furan formyl) hydrazone (1) has been designed, synthesized and evaluated as a Zn2 + ratiometric fluorescent probe in ethanol-water system. This probe 1 showed good selectivity and high sensitivity towards Zn2 + over other metal ions investigated, and a decrease in fluorescence emission intensity at 511 nm accompanied by an enhancement in fluorescence emission intensity at 520 nm of this probe 1 was observed in the presence of Zn2 + in ethanol-water (V: V = 9: 1) solution, which provided ratiometric fluorescence detection of Zn2 +. Additionally, the ratiometric fluorescence response of 1 to Zn2 + was nearly completed within 0.5 min, which suggested that this probe 1 could be utilized for sensing and monitoring Zn2 + in environmental and biological systems for real-time detection.
- Li, Chao-Rui,Li, Si-Liang,Yang, Zheng-Yin
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p. 214 - 222
(2016/12/09)
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- One-pot dichlorinative deamidation of primary β-ketoamides
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An approach to the dichlorinative deamidation of primary β-ketoamides through ketonic cleavage is described, and a series of α,α-dichloroketones were furnished mostly in the presence of TEMPO. Based on control experiments, a mechanism involving tandem dichlorination and deamidation is proposed to interpret the observed reactivity.
- Zheng, Congke,Zhang, Xiaohui,Ijaz Hussain, Muhammad,Huang, Mingming,Liu, Qing,Xiong, Yan,Zhu, Xiangming
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supporting information
p. 574 - 577
(2017/01/16)
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- Cobalt-Catalyzed Esterification of Amides
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The first cobalt-catalyzed amide activation of N-Boc-amides, and their conversion into esters, is reported here. This new methodology presents a very practical process that does not require an inert atmosphere, uses an inexpensive cobalt catalyst, and proceeds under mild reaction conditions. This catalytic system has a broad substrate scope and has been shown to be highly efficient, with catalyst loadings as low as 1 mol %.
- Bourne-Branchu, Yann,Gosmini, Corinne,Danoun, Grégory
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supporting information
p. 10043 - 10047
(2017/08/01)
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- SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME
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ABSTRACT The present invention provides for certain sulfonyl ureas and related compounds which have advantageous properties and show useful activity in the inhibition of activation of the NLRP3 inflammasome. Such compounds are useful in the treatment of a wide range of disorders in which the inflammation process, or more specifically the NLRP3 inflammasome, have been implicated as being a key factor.
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Page/Page column 91
(2016/09/15)
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- A Chromone-Derived Schiff-Base Ligand as Al3+ "turn on" Fluorescent Sensor: Synthesis and Spectroscopic Properties
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In this study, a novel chromone-derived Schiff-base ligand called 6-Hydroxy-3-formylchromone (2′-furan formyl) hydrazone (HCFH) has been designed and synthesized as a "turn on" fluorescent sensor for Al3+. This sensor HCFH showed high selectivity and sensitivity towards Al3+ over other metal ions investigated, and most metal ions had nearly no influences on the fluorescence response of HCFH to Al3+. Additionally, the significant enhancement by about 171-fold in fluorescence emission intensity at 502 nm was observed in the presence of Al3+ in ethanol, and it was due to the chelation-enhanced fluorescence (CHEF) effect upon complexation of HCFH with Al3+ which inhibited the photoinduced electron transfer (PET) phenomenon from the Schiff-base nitrogen atom to chromone group. Moreover, this sensor formed a 1: 1 complex with Al3+ and the fluorescence response of HCFH to Al3+ was nearly completed within 1 min. Thus, this sensor HCFH could be used to detect and recognize Al3+ for real-time detection.
- Li, Chao-Rui,Qin, Jing-Can,Wang, Bao-Dui,Fan, Long,Yan, Jun,Yang, Zheng-Yin
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p. 345 - 353
(2016/01/15)
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- Combretastatin linked 1,3,4-oxadiazole conjugates as a Potent Tubulin Polymerization inhibitors
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A new class of combretastatin linked 1,3,4-oxadiazoles were designed, synthesized and screened for their cytotoxic activity against five human cancer cell lines such as HeLa, DU-145, A549, MDA-MB-231 and B16. These compounds showed significant cytotoxicity with IC50 values in the range 0.118-54.32 μM. Conjugate 5m displayed potent antiproliferative activity against DU-145 cell line. Flow cytometric analysis revealed that these compounds arrested the cell cycle in G2/M phase. Moreover, the tubulin polymerization assay and immunofluorescence analysis indicate that 5m exhibits potent inhibitory effect on the tubulin assembly. Further, DNA fragmentation and Hoecst staining assays confirm that 5m induces apoptosis. Molecular docking studies and competitive binding assay indicated that 5m effectively bind at the colchicine binding site of the tubulin.
- Kamal, Ahmed,Srikanth,Vishnuvardhan,Kumar, G. Bharath,Suresh Babu, Korrapati,Hussaini, S.M. Ali,Kapure, Jeevak Sopanrao,Alarifi, Abdullah
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p. 126 - 136
(2016/03/09)
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- Synthesis and biological activities of novel 5-substituted-1,3,4-oxadiazole Mannich bases and bis-Mannich bases as ketol-acid reductoisomerase inhibitors
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A series of novel 5-substituted-1,3,4-oxadiazole Mannich bases and bis-Mannich bases have been conveniently synthesized in good yields. Their structures were characterized by IR,1H NMR,13C NMR and elemental analysis. The preliminary bioassay results indicated that some of the compounds showed promising in vitro fungicidal activities towards several test plant fungi; some of them exhibited significant herbicidal activities against Brassica campestris and excellent in vitro inhibitory activities against rice ketol-acid reductoisomerase (KARI). Among 14 novel compounds, 8c, 8d and 8m showed potent KARI inhibitory activities with Kivalue of (0.96?±?0.42), (3.86?±?0.49) and (3.10?±?0.71) μmol/L, respectively, and were comparable with IpOHA. These compounds could be novel KARI inhibitors for further investigation. The density functional theory (DFT) calculations and molecular docking were carried out to study the structure–activity relationship (SAR) of the active inhibitors in this Letter.
- Zhang, Yan,Liu, Xing-Hai,Zhan, Yi-Zhou,Zhang, Li-Yuan,Li, Zheng-Ming,Li, Yong-Hong,Zhang, Xiao,Wang, Bao-Lei
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supporting information
p. 4661 - 4665
(2016/09/13)
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- A smart catalyst system for the valorization of renewable furfural in aliphatic alcohols
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A highly efficient and selective oxidative condensation-hydrogenation process of renewable furfural with aliphatic alcohols catalyzed by metallic platinum in a one-pot reactor is developed. A series of supported platinum catalysts including Pt/FH, Pt/H, Pt/HT, Pt/Fe3O4, Pt/Al2O3 and Pt/ZrO2 are prepared and employed for the polarization of furfural in ethanol and n-propanol. It is found that, in the presence of Pt/FH and potassium carbonate, 93.9% conversion of furfural and 67.9% selectivity to furan-2-acrolein were obtained via oxidative condensation in the furfural-ethanol-O2 (FEO) system, and 90.1% conversion of furfural and 90% selectivity to 3-(furan-2-yl-)-2-methylacrylaldehyde were obtained via oxidative condensation in the furfural-n-propanol-O2 (FPO) system. Moreover, the oxygen in the FPO system is completely replaced by molecular hydrogen to allow the further conversion of 3-(furan-2-yl-)-2-methylacrylaldehyde, while the catalytic system was kept unchanged. During this process, 87.3% conversion of 3-(furan-2-yl-)-2-methylacrylaldehyde and 73.2% selectivity to 3-(furan-2-yl-)-2-methylpropanol were obtained via a hydrogenation reaction with the Pt/FH catalyst. Moreover, several common bases as promoters were investigated in detail. All the catalysts were characterized by XRD, TEM, SEM, TPD and BET methods to reveal their catalytic nature in the reaction.
- Liu, Zonghui,Tong, Xinli,Liu, Jinbiao,Xue, Song
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p. 1214 - 1221
(2016/02/27)
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- Au-catalyzed oxidative condensation of renewable furfural and ethanol to produce furan-2-acrolein in the presence of molecular oxygen
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A specialty chemical compound, furan-2-acrolein, can be produced from renewable feedstock via furfural. An efficient catalytic process related to oxidative condensation of furfural and ethanol using supported Au catalyst has been developed. A series of solid catalysts including Au/Al2O3, Au/CeO2, Au/Fe3O4, Au/HTc (hydrotalcite calcined) and Au/Nb2O5 are prepared and their catalytic activities in oxidative condensation of furfural with ethanol are compared. Moreover, the influence of the presence of base promoters, such as K2CO3, on Au catalyst performance is investigated. The physical properties of these catalysts are characterized by XRD, TEM, SEM, UV-vis and BET techniques. The impact of reaction variables on catalyst performance is measured. It has been found that, in the presence of Au/Al2O3 and potassium carbonate, 94.1% conversion of furfural and 75.0% selectivity to furan-2-acrolein are obtained under the conditions of 140 °C, 0.3 MPa of O2 and reaction time of 4 h.
- Tong, Xinli,Liu, Zonghui,Hu, Jianli,Liao, Shengyun
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p. 196 - 203
(2015/12/05)
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- Iodobenzene Dichloride in the Esterification and Amidation of Carboxylic Acids: In-Situ Synthesis of Ph3PCl2
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A novel, in-situ synthesis of dichlorotriphenylphosphorane (Ph3PCl2) is accomplished upon combining PPh3and the easily prepared hypervalent iodine reagent iodobenzene dichloride (PhICl2). The phosphorane is selectively generated in the presence of carboxylic acid or alcohol residues to rapidly produce acyl chlorides and alkyl chlorides in high yields. Addition of EtOH, PhOH, BnOH, Et2NH or CH2N2results in the direct synthesis of esters, amides and diazo ketones from carboxylic acids.
- Carle, Myriam S.,Shimokura, Grace K.,Murphy, Graham K.
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p. 3930 - 3933
(2016/08/24)
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- Palladium-Catalyzed Carbonylations of Arylboronic Acids: Synthesis of Arylcarboxylic Acid Ethyl Esters
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An approach for the palladium-catalyzed ethoxycarbonylations of arylboronic acids using diethyl pyrocarbonate as carbon monoxide/carbon dioxide (CO/CO2) surrogate in moderate to good yields has been investigated.
- Liang, Apeng,Han, Shuaijun,Wang, Liang,Li, Jingya,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng
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supporting information
p. 3104 - 3108
(2015/11/03)
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- Metal-free aerobic oxidative esterification of aldehydes in the presence of cyanide
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A metal-free aerobic oxidative esterification of aldehydes in the presence of cyanide is described. Various aromatic aldehydes and sterically congested alcohols were amenable to this protocol. In addition, this method could be extended to the preparation of thioesters with a thiol in place of an alcohol. Furthermore, the cyanide-mediated aerobic oxidation of aldehydes was applied to the synthesis of lactones via intramolecular esterification in the absence of an alcohol.
- Kim, Yoo-Jin,Cheon, Cheol-Hong
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supporting information
p. 2055 - 2061
(2015/08/18)
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- Copper(I)-catalyzed A3-coupling based reaction of alkynes, aldehydes, and amines: An efficient approach to 2,5-polysubstituted dihydrofurans and 2,5-disubstituted furans
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Abstract An efficient and practical A3-coupling based reaction that gives a variety of 2,5-polysubstituted dihydrofurans and 2,5-disubstituted furan derivatives has been developed. This domino copper-catalyzed three-component coupling reaction of propargylic alcohol, ethyl glyoxalate, and an amine affords a propargylic amine intermediate, which undergoes an alkyne-allene isomerization followed by a cyclization to yield the dihydrofuran. Upon treatment with CH3I and base, the latter was smoothly converted into a 2,5-disubstituted furan. Alternatively, the furan derivatives can be directly prepared by a two-step reaction sequence. An efficient and practical A3-coupling based reaction that gives a variety of 2,5-polysubstituted dihydrofurans has been developed. The starting materials are commercially available, and the reaction conditions are mild. In addition, 2,5-disubstituted furans can be prepared by treating the dihydrofuran derivatives with CH3I and base in a two-step reaction sequence.
- Fan, Wu,Ma, Shengming
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p. 3531 - 3539
(2015/06/08)
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- Conversion of a metal-organic framework to N-doped porous carbon incorporating Co and CoO nanoparticles: Direct oxidation of alcohols to esters
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A Co-based metal-organic framework, ZIF-67, has been exploited as a selflate to afford N-doped porous carbon incorporating Co NPs with surface-oxidized CoO species, which exhibit excellent catalytic activity, selectivity and magnetic recyclability toward the direct oxidation of alcohols to esters with O2 as a benign oxidant under mild conditions.
- Zhou, Yu-Xiao,Chen, Yu-Zhen,Cao, Lina,Lu, Junling,Jiang, Hai-Long
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supporting information
p. 8292 - 8295
(2015/05/13)
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- Gold nanoparticles supported on metal oxides as catalysts for the direct oxidative esterification of alcohols under mild conditions
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Gold nanoparticles supported on metal oxides were used to catalyze the direct oxidative esterification of alcohols; esters were obtained using molecular oxygen as an oxidant under ambient temperature and pressure. Higher activities for the reaction between the benzyl alcohol and methanol were obtained over Au/CeO2 and Au/ZrO2 than Au/TiO2 (anatase), Au/HT (hydrotalcite) and Au/Al2O3. These catalysts were characterized using transmission electron microscopy (TEM), X-ray diffraction (XRD), atomic absorption spectroscopy (AAS) and X-ray photoelectron spectroscopy (XPS). The distribution of gold nanoparticles was uniform; no change of chemical states occurred for supports and gold nanoparticles after the catalysts were reused 10 times. The oxidative esterification of various alcohols over these catalysts could also occur under optimized reaction conditions. The substituted benzyl alcohols and cinnamyl alcohols were more active than heterocyclic alcohols and aliphatic alcohols because their α-H could be eliminated more easily during the induction of adsorbed dioxygen. Self-oxidative esterification was available for benzyl alcohol in inert solvents with low polarity indexes. A reaction mechanism was proposed for the synthesis of esters from alcohols with molecular oxygen.
- Wei, Huili,Li, Jingyi,Yu, Jing,Zheng, Jianwei,Su, Haiquan,Wang, Xiaojing
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- Synthesis, biologicalevaluation, and molecular modeling of (E)-2-aryl-5-styryl-1,3,4-oxadiazolederivatives as acetylcholine esterase inhibitors
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A library of 2,5-disubstituted 1,3,4-oxadiazole derivatives of (E)-2-aryl-5-(3,4,5-trimethoxystyryl)-1,3,4-oxadiazoles 4(a-o) and (E)-2-aryl-5-(2-benzo[d][1,3]dioxol-5-yl)vinyl)-1,3,4-oxadiazoles 5(a-q) were synthesized and evaluated for their in vitro acetylcholinesterase (AChE) inhibitory activity. All the synthesized compounds exhibited moderate to good inhibitory activity toward the AChE enzyme. Among the oxadiazole derivatives examined, compounds 4a, 4g, 5c, and 5m (IC50 values of 24.89, 13.72, 37.65, and 19.63 μM, respectively) were found to be promising inhibitors of AChE. Molecular protein-ligand docking studies were examined for these compounds using GOLD docking software and their binding conformations were determined and the simultaneous interactions mode was also established for the potent derivatives. Springer Science+Business Media 2013.
- Kamal, Ahmed,Shaik, Anver Basha,Reddy, G. Narender,Kumar, C. Ganesh,Joseph, Joveeta,Kumar, G. Bharath,Purushotham, Uppula,Sastry, G. Narahari
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p. 2080 - 2092
(2014/05/06)
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- Novel arylhydrazone derivatives bearing a rhodanine moiety: Synthesis and evaluation of their antibacterial activities
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A series of arylhydrazone derivatives bearing a rhodanine moiety have been synthesized, characterized, and evaluated as antibacterial agents. Some of these compounds showed potent antibacterial activities against several different strains of Gram-positive bacteria, including multidrug-resistant clinical isolates. Of the compounds tested, IIk and IIIk were identified as the most effective, with minimum inhibitory concentration values of 2-4 μg/mL against multidrug-resistant Gram-positive organisms, including methicillin-resistant and quinolone-resistant Staphylococcus aureus. None of the compounds exhibited any activity against the Gram-negative bacteria Escherichia coli 1356 at 64 μg/mL.
- Li, Wei,Zheng, Chang-Ji,Sun, Liang-Peng,Song, Ming-Xia,Wu, Yan,Li, Yin-Jing,Liu, Yi,Piao, Hu-Ri
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p. 852 - 861
(2014/08/05)
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- Highly selective trifluoroacetic ester/ketone metathesis: An efficient approach to trifluoromethyl ketones and esters
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A highly selective and atom efficient 'trifluoroacetic ester/ketone metathesis' has been sincerely witnessed. Enolizable alkyl (at least two non-hydrogen atoms) aryl ketones were found to react readily with ethyl trifluoroacetate under the promotion of NaH to afford trifluoroacetic ester/ketone exchange products, trifluoromethyl ketones (TFMKs), and aromatic acid esters, which were quite different from the general Claisen condensation products, 1,3-diketones. The outcome of the reaction between ketone and ethyl trifluoroacetate is strongly related to the structures of substrates, the steric congestion caused by alkyl group is in favor of the C-C bond cleavage. DFT investigation further disclosed that the metathesis reaction was a kinetically favored pathway. Using only a slight excess of cheap trifluoromethylation reagent, simple operation and mild conditions make it a practical method for preparation of TFMKs on large scale, as well as a new choice of converting aryl alkyl ketones to aromatic acid esters.
- Zhou, Yuhan,Yang, Dongmei,Luo, Gen,Zhao, Yilong,Luo, Yi,Xue, Na,Qu, Jingping
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p. 4668 - 4674
(2014/06/23)
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- Alkylsulfanyl-1,2,4-triazoles, a New Class of allosteric valosine containing protein inhibitors. Synthesis and structure-activity relationships
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Valosine containing protein (VCP), also known as p97, is a member of AAA ATPase family that is involved in several biological processes and plays a central role in the ubiquitin-mediated degradation of misfolded proteins. VCP is an ubiquitously expressed, highly abundant protein and has been found overexpressed in many tumor types, sometimes associated with poor prognosis. In this respect, VCP has recently received a great deal of attention as a potential new target for cancer therapy. In this paper, the discovery and structure-activity relationships of alkylsulfanyl-1,2,4-triazoles, a new class of potent, allosteric VCP inhibitors, are described. Medicinal chemistry manipulation of compound 1, identified via HTS, led to the discovery of potent and selective inhibitors with submicromolar activity in cells and clear mechanism of action at consistent doses. This represents a first step toward a new class of potential anticancer agents.
- Polucci, Paolo,Magnaghi, Paola,Angiolini, Mauro,Asa, Daniela,Avanzi, Nilla,Badari, Alessandra,Bertrand, Jay,Casale, Elena,Cauteruccio, Silvia,Cirla, Alessandra,Cozzi, Liviana,Galvani, Arturo,Jackson, Peter K.,Liu, Yichin,Magnuson, Steven,Malgesini, Beatrice,Nuvoloni, Stefano,Orrenius, Christian,Sirtori, Federico Riccardi,Riceputi, Laura,Rizzi, Simona,Trucchi, Beatrice,O'Brien, Tom,Isacchi, Antonella,Donati, Daniele,D'Alessio, Roberto
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p. 437 - 450
(2013/04/10)
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- Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents
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A series of novel 1,3,4-oxadiazole thioether derivatives (compounds 9-44) were designed and synthesized as potential inhibitors of thymidylate synthase (TS) and as anticancer agents. The in vitro anticancer activities of these compounds were evaluated against three cancer cell lines by the MTT method. Among all the designed compounds, compound 18 bearing a nitro substituent exhibited more potent in vitro anticancer activities with IC50 values of 0.7 ± 0.2, 30.0 ± 1.2, 18.3 ± 1.4 μM, respectively, which was superior to the positive control. In the further study, it was identified as the most potent inhibitor against two kinds of TS protein (for human TS and Escherichia coli TS, IC50 values: 0.62 and 0.47 μM, respectively) in the TS inhibition assay in vitro and the most potent antibacterial agents with MIC (minimum inhibitory concentrations) of 1.56-3.13 μg/mL against the tested four bacterial strains. Molecular docking and 3D-QSAR study supported that compound 18 can be selected as dual antitumor/antibacterial candidate in the future study.
- Du, Qian-Ru,Li, Dong-Dong,Pi, Ya-Zhou,Li, Jing-Ran,Sun, Jian,Fang, Fei,Zhong, Wei-Qing,Gong, Hai-Bin,Zhu, Hai-Liang
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p. 2286 - 2297
(2013/05/09)
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- Synthesis and insecticidal activities of cis-configuration nitenpyram analogues with benzoyl hydrazines
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To research on the structure-activity relationships of our designed neonicotinoid compounds, a series of novel cis-configuration nitenpyram analogues with benzoyl hydrazines were designed and synthesized. The structures of all compounds were confirmed by IR, 1H NMR, MS, and elemental analysis. Preliminary bioassays indicated that all the analogues exhibited good insecticidal activities against Nilaparvata legen and Aphis medicagini at 500 mg L-1.
- Xu, Xiao,Sun, Chuan-Wen,Yang, Ding-Rong,Bu, Hong-Fei,Wang, Jing,Xu, Yong-Hua
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p. 945 - 948
(2013/08/23)
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- Selective oxidation of alcohols to esters using heterogeneous Co 3O4-N@C catalysts under mild conditions
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Novel cobalt-based heterogeneous catalysts have been developed for the direct oxidative esterification of alcohols using molecular oxygen as benign oxidant. Pyrolysis of nitrogen-ligated cobalt(II) acetate supported on commercial carbon transforms typical homogeneous complexes to highly active and selective heterogeneous Co3O4-N@C materials. By applying these catalysts in the presence of oxygen, the cross and self-esterification of alcohols to esters proceeds in good to excellent yields.
- Jagadeesh, Rajenahally V.,Junge, Henrik,Pohl, Marga-Martina,Radnik, Joerg,Brueckner, Angelika,Beller, Matthias
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supporting information
p. 10776 - 10782
(2013/08/23)
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- VO(acac)2: An efficient catalyst for the oxidation of aldehydes to the corresponding acids in the presence of aqueous H2O2
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VO(acac)2 catalyzes the oxidation of aldehydes (aromatic, aliphatic, and heterocyclic) to the corresponding acids efficiently and selectively in the presence of H2O2 as an oxidant. This method possesses functional-group compatibility, easy workup procedure, and shorter reaction time. The reaction is highly dependent on the solvent used. Performance of titania-supported VO(acac)2 in the oxidation of aldehyde was also investigated. Georg Thieme Verlag Stuttgart . New York.
- Talukdar, Dhrubajyoti,Sharma, Kiran,Bharadwaj, Saitanya K.,Thakur, Ashim Jyoti
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p. 963 - 966
(2013/06/27)
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- The dual role of ionic liquid BmimBF4, precursor of N-heterocyclic carbene and solvent, in the oxidative esterification of aldehydes
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Room temperature ionic liquid BmimBF4 (1-butyl-3- methylimidazolium tetrafluoroborate) has been utilized in the N-heterocyclic carbene-catalyzed oxidation of aldehydes to yield esters. In the presence of MnO2 as oxidant and of DBU and caesium carbonate as bases, aromatic, heteroaromatic and aliphatic esters have been isolated in good to excellent yields. The recyclability of the used ionic liquid along with the excess of inorganic reagents has been proved. The simple and cheap BmimBF4 ionic liquid played the dual role of precatalyst and solvent. This is the first time that such a reaction has been carried out with an ionic liquid as solvent.
- Chiarotto, Isabella,Feroci, Marta,Sotgiu, Giovanni,Inesi, Achille
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p. 8088 - 8095
(2013/08/23)
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- Synthesis and biological evaluation of heterocyclic ring-substituted chalcone derivatives as novel inhibitors of protein tyrosine phosphatase 1B
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Protein tyrosine phosphatase 1B (PTP1B) is a key factor in negative regulation of the insulin pathway, and is a promising target for the treatment of type-II diabetes, obesity and cancer. Herein, compound (4) was first observed to have moderate inhibitory activity against PTP1B with an IC50 value of 13.72 ± 1.53 μM. To obtain more potent PTP1B inhibitors, we synthesized a series of chalcone derivatives using compound (4) as the lead compound. Compound 4l (IC50 = 3.12 ± 0.18 μM) was 4.4-fold more potent than the lead compound 4 (IC50 = 13.72 ± 1.53 μM), and more potent than the positive control, ursolic acid (IC50 = 3.40 ± 0.21 μM). These results may help to provide suitable drug-like lead compounds for the design of inhibitors of PTP1B as well as other PTPs. Copyright
- Chen, Zhen-Hua,Sun, Liang-Peng,Zhang, Wei,Shen, Qiang,Gao, Li-Xin,Li, Jia,Piao, Hu-Ri
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scheme or table
p. 1505 - 1508
(2012/07/31)
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- Synthesis and insecticidal activities of 1,3,5-trisubstituted-1,3,5- hexahydrotriazine-2-N-nitroimines
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A new series of 1,3,5-trisubstituted-1,3,5-hexahydrotriazine-2-N- nitroimines (3a-3j) were designed and synthesized as novel neonicotinoid analogues, and their structures were characterized by 1H NMR, IR, elemental analysis and MS. The preliminary bioassay tests showed that most of the target compounds had good insecticidal activities against Nilaparvata lugens as well as Aphis medicaginis at 500 mg/L, while compound 3i had 100% mortality against Nilaparvata lugens at 20 mg/L.
- Xue, Sijia,Ma, Xubo,Bu, Hongfei,Liu, Li,Xu, Xiao
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p. 2153 - 2156
(2012/03/26)
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- PROCESS FOR PRODUCING ESTER COMPOUND
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PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.
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Page/Page column 16
(2010/12/31)
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- Development and assessment of green synthesis of hydrazides
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An expeditious, solvent free one pot method for the preparation of hydrazides from corresponding acids directly under microwave irradiation is developed. The method has been assessed using green chemistry measures and found superior to conventional method with higher E(environmental) factor, atom economy, atom efficiency, carbon efficiency, reaction mass efficiency.
- Saha, Ajoy,Kumar, Rajesh,Kumar, Rajendra,Devakumar
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experimental part
p. 526 - 531
(2010/10/03)
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- Synthesis, biological evaluation, and molecular docking studies of 2-chloropyridine derivatives possessing 1,3,4-oxadiazole moiety as potential antitumor agents
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A series of new 2-chloropyridine derivatives possessing 1,3,4-oxadiazole moiety were synthesized. Antiproliferative assay results indicated that compounds 6o and 6u exhibited the most potent activity against gastric cancer cell SGC-7901, which was more potent than the positive control. Especially, compound 6o exhibited significant telomerase inhibitory activity (IC 50 = 2.3 ± 0.07 μM), which was comparable to the positive control ethidium bromide. Docking simulation was performed to position compound 6o into the active site of telomerase (3DU6) to determine the probable binding model.
- Zheng, Qing-Zhong,Zhang, Xiao-Min,Xu, Ying,Cheng, Kui,Jiao, Qing-Cai,Zhu, Hai-Liang
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scheme or table
p. 7836 - 7841
(2011/01/13)
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