- Selective Complexation of Hydrazone Based Ketimine with 3d, 4d, and 5d Metals: Synthesis, Characterization, and Biological Activity
-
The hydrazone derived ketimine of dehydroacetic acid and its metal {Cu(II), Ni(II), Zn(II), Fe(III), Cd(II), Pd(II), La(III), Nd(III), Ce(III)} complexes are synthesized and characterized by IR, 1H and 13C NMR, and UV-Vis spectroscopy. DNA studies have been carried out for metal complexes by electronic absorption spectroscopy. It is determined that metal complexes bind to DNA through intercalation. The complexes of Cu(II), Zn(II) and Pd(II) demonstrate significant activity against HeLa cells (cervical cancer).
- Ahmad,Taj,Tirmizi,Alelwani,Hajjar,Makki,Shah,Ali,Hassan,Tahir,Siddiq
-
-
Read Online
- ELECTROPHILICALLY CATALYZED SPLITTING OF DIMETHOXYAMINE TO METHOXYNITRENIUM ION AND ITS REACTIONS
-
The electrophilically catalyzed splitting of the N-O bond of dimethoxyamine results in the formation of methoxynitrenium ion, which in reaction with nucleophiles exhibits properties of an ambidentate cation - it methylates rigid nucleophiles and epiminates olefins.The stereospecificity of the addition of the nitrenium ion to cis-2-butene indicates its existence in a singlet electronic ground state.
- Rudchenko, V. F.,Ignatov, S. M.,Chervin, I. I.,Aliev, A. E.,Kostyanovskii, R. G.
-
-
Read Online
- N,N-Dimethoxyamine; a New Methylating, Aminating, and Epiminating Reagent
-
Electrophilically catalysed cleavage of the N-O bond of N,N-dimethoxyamine results in the formation of singlet N-methoxynitrenium ion, which aminates soft nucleophiles, methylates hard ones, and epiminates alkenes.
- Rudchenko, Vladimir F.,Ignatov, Sergei M.,Kostyanovsky, Remir G.
-
-
Read Online
- Exploratory chemistry of 3-aroylformamido-4-aryl-1,2,5-thiadiazoles
-
Apart from the previous report, the reaction of 3-(4- nitrobenzoylformamido)-4-(4-nitrophenyl)-1,2,5thiadiazole (2a) with m- chloroperbenzoic acid in chloroform at room temperature did not proceed, whereas at reflux temperature the same reaction gave 4-nitrobenzoic acid (5) (86%) and a minute amount of a mixture of 4-nitrobenzoylformamide (6) and 3- amino-4-(4-nitrophenyl)-l,2,5-thiadiazole (7a). On the other hand the same reaction in a mixture of ethanol and chloroform (1:4) at room temperature gave 3-ethoxycarbamoyl-4-(4-nitrophenyl)-l,2,5-thiadiazole (8a) (24%) as an isolable product. When 3-aroylformamido-4-aryl-l,2,5-thiadiazoles 2 in tetrahydrofuran were treated with various alkoxides in the corresponding alcohols at room temperature, 3-amino-4-aryl- 7, 3-alkoxycarbamoyl-4-aryl- 8, and 3-aryl-4(aryl)(hydroxy)acetamido-1,2,5-thiadiazoles 9 were isolated. The ratios of which were dependent on the kind of bases and the solvent employed. Selected compounds 2 were allowed to react with phosphorus pentasulfide in the presence of pyridine at reflux to give 3-aryl-4-arylacetamido-1,2,5- thiadiazoles 17 (5564%), which were also produced by the reaction of 2 with either Lawesson's reagent or hydrogen sulfide gas in the presence of pyridine at reflux.
- Kong, Yung Cheol,Kim, Kyongtae
-
-
Read Online
- Ni-NiO heterojunctions: a versatile nanocatalyst for regioselective halogenation and oxidative esterification of aromatics
-
Herein, we report a facile method for the synthesis of Ni-NiO heterojunction nanoparticles, which we utilized for the nuclear halogenation reaction of phenol and substituted phenols usingN-bromosuccinimide (NBS). A remarkablepara-selectivity was achieved for the halogenated products under semi-aqueous conditions. Interestingly, blocking of thepara-position of phenol offeredortho-selective halogenation. In addition, the Ni-NiO nanoparticles catalyzed the oxidative esterification of carbonyl compounds with alcohol, diol or dithiol in the presence of a catalytic amount of NBS. It was observed that the aromatic carbonyls substituted with an electron-donating group favoured nuclear halogenation, whereas an electron-withdrawing group substitution in carbonyl compounds facilitated the oxidation reaction. In addition, the catalyst was magnetically separated and recycled 10 times. The tuned electronic structure at the Ni-NiO heterojunction controlled selectivity and activity as no suchpara-selectivity was observed with commercially available NiO or Ni nanoparticles.
- Bhardwaj, Nivedita,Goel, Bharat,Indra, Arindam,Jain, Shreyans K.,Singh, Ajit Kumar,Tripathi, Nancy
-
p. 14177 - 14183
(2021/08/16)
-
- Vitamin B1-catalyzed aerobic oxidative esterification of aromatic aldehydes with alcohols
-
A straightforward aerobic oxidative esterification of aryl aldehydes with alcohols has been developed for the synthesis of substituted esters by employing vitamin B1 as a cost-effective, metal-free, and eco-friendly NHC catalyst. Air is used as a green terminal oxidant. The reaction is a useful addition to the existing NHC-catalytic oxidative esterification.
- Chu, Xue-Qiang,Ge, Danhua,Luo, Xin-Long,Xu, Pei,Yu, Zi-Lun
-
supporting information
p. 30937 - 30942
(2021/11/19)
-
- The Highly Effective Cobalt Based Metal–Organic Frameworks Catalyst for One Pot Oxidative Esterification Under Mild Conditions
-
The cobalt-based metal organic frameworks (Co-MOFs) catalyst has been prepared with using terephthalic acid and 4,4′-bipyridine as organic linkers by facile solvothermal method for one pot oxidative esterification. The prepared catalyst was pyrolysed at different temperature and then applied for oxidation of aldehyde using molecular oxygen as benign oxidant under mild conditions. The Co-MOFs pyrolysed at 800?°C (denoted as Co-MOFs-800) catalyst exhibited excellent catalytic activity, selectivity and recyclability toward the oxidative esterification of benzaldehydes. Furthermore, it can be reused up to 5 runs without significant loss of activity. Graphic Abstract: [Figure not available: see fulltext.]
- Chindawong, Chakkresit,Mekrattanachai, Pagasukon,Setthaya, Naruemon,Song, Wei Guo,Zhu, Lei
-
-
- Light-induced carboxylation of aryl derivatives with cooperative COF as an active photocatalyst and Ni(ii) co-catalyst
-
The photocatalytic carboxylation of aryl derivatives was demonstrated under CO2at atmospheric pressure using a mesoporous covalent organic framework (COF) as the active photocatalyst with triethylamine (TEA) as a sacrificial electron source under visible light. A yield of greater than 91% of the isolated product was achieved with 5 mg of catalyst. The reaction cycle is dependent on the use of the Ni(dmg)2co-catalyst and the sacrificial electron donor (TEA). The reaction does not occur in the absence of light (445 nm) even at elevated reaction temperature. We have also demonstrated that a yield of 32% of the isolated product could be obtained with the use of sunlight in the catalytic cycle. Additionally, this heterogeneous catalytic system was recyclable and reusable for several cycles.
- Chakrabortty, Pekham,Das, Anjan,Chowdhury, Arpita Hazra,Ghosh, Swarbhanu,Khan, Aslam,Islam, Sk. Manirul
-
p. 4738 - 4745
(2021/03/22)
-
- Preparation method of methyl benzoate compound
-
A preparation method of a methyl benzoate compound comprises the step that the methyl benzoate compound is prepared by carrying out esterification reaction on a benzoic acid compound and methyl alcohol under the catalysis of dihalogen hydantoin, and the molar ratio of the benzoic acid compound to the dihalogen hydantoin to the methyl alcohol is 1: (0.01-0.4): (2-30). According to the preparation method, the methyl benzoate compound can be efficiently prepared under mild conditions, the operation is safe, no acid waste liquid exists, meanwhile, raw materials are easy to obtain, and the production cost is low.
- -
-
Paragraph 0019; 0043-0044
(2021/08/14)
-
- Design and synthesis of novel 1,3,4-oxadiazole based azaspirocycles catalyzed by NaI under mild condition and evaluated their antidiabetic and antibacterial activities
-
A modest, efficient, and mild synthetic procedure has been developed for the synthesis of novel series of 1,3,4-oxadiazole containing azaspirocycles derivatives. The reaction of 1,3,4-oxadiazole derivative with diverse azaspiro compounds under room temperature condition with helps of sodium iodide catalyst and polar aprotic solvent. Numerous compensations of this strategy embrace less time required, yield increment, consumption of all reactants, and mild condition. All synthesized compounds evaluated for in vitro antidiabetic and antibacterial screening. Among them some compounds show significant biological response.
- Radia, Ashish J.,Lalpara, Jaydeep N.,Modasiya, Ishita J.,Dubal, Gaurang G.
-
supporting information
p. 612 - 621
(2020/12/14)
-
- Design, synthesis, antibacterial evaluation, and computational studies of hybrid oxothiazolidin–1,2,4-triazole scaffolds
-
Bacterial infections are a serious threat to human health due to the development of resistance against the presently used antibiotics. The problem of growing and widespread antibiotic resistance is only getting worse with the shortage of new classes of antibiotics, creating a substantial unmet medical need in the treatment of serious bacterial infections. Therefore, in the present work, we report 18 novel hybrid thiazolidine–1,2,4-triazole derivatives as DNA gyrase inhibitors. The derivatives were synthesized by multistep organic synthesis and characterized by spectroscopic methods (1H and 13C nuclear magnetic resonance and mass spectroscopy). The derivatives were tested for DNA gyrase inhibition, and the result emphasized that the synthesized derivatives have a tendency to inhibit the function of DNA gyrase. Furthermore, the compounds were also tested for antibacterial activity against three Gram-positive (Bacillus subtilis [NCIM 2063], Bacillus cereus [NCIM 2156], Staphylococcus aureus [NCIM 2079]) and two Gram-negative (Escherichia coli [NCIM 2065], Proteus vulgaris [NCIM 2027]) bacteria. The derivatives showed a significant-to-moderate antibacterial activity with noticeable antibiofilm efficacy. Quantitative structure–activity relationship (QSAR), ADME (absorption, distribution, metabolism, elimination) calculation, molecular docking, radial distribution function, and 2D fingerprinting were also performed to elucidate fundamental structural fragments essential for their bioactivity. These studies suggest that the derivatives 10b and 10n have lead antibacterial properties with significant DNA gyrase inhibitory efficacy, and they can serve as a starting scaffold for the further development of new broad-spectrum antibacterial agents.
- Pathak, Prateek,Novak, Jurica,Shukla, Parjanya K.,Grishina, Maria,Potemkin, Vladimir,Verma, Amita
-
-
- New bis([1,2,4]triazolo)[4,3-a:3′,4′-c]quinoxaline derivatives as VEGFR-2 inhibitors and apoptosis inducers: Design, synthesis, in silico studies, and anticancer evaluation
-
A new series of bis([1,2,4]triazolo)[4,3-a:3′,4′-c]quinoxaline derivatives were designed and synthesized to have the main essential pharmacophoric features of VEGFR-2 inhibitors. VEGFR-2 inhibitory activities were assessed for the designed compounds. In addition, cytotoxic activity was evaluated for all derivatives against two human cancer cell lines namely, HepG-2 and MCF-7. The most cytotoxic compound 20 h was subjected to further biological investigations including cell cycle, apoptosis, caspase-3, caspase-9, BAX, and Bcl-2 analyses. Different in silico studies as docking, ADMET and toxicity were carried out. The results exhibited that compounds 20b, 20e, 20h and 20m showed promising VEGFR-2 inhibitory activities with IC50 values of 5.7, 6.7, 3.2, and 3.1 μM, respectively. Moreover, these promising members exhibited the highest antiproliferative activities against the two cell lines with IC50 values ranging from 3.3 to 14.2 μM, comparing to sorafenib (IC50 = 2.17 and 3.43 μM against HepG2 and MCF-7, respectively). Additionally, compound 20h induced cell cycle arrest of HepG2 cells at G2/M phase. Also, such compound increased the progress of apoptosis by 3.5-fold compared to the control. As well, compound 20h showed a significant increase in the level of caspase-3 (2.07-fold), caspase-9 (1.72-fold), and BAX (1.83-fold), and a significant decrease in Bcl-2 level (1.92-fold). The in silico studies revealed that the synthesized compounds have binding pattern like that of sorafenib.
- Alanazi, Mohammed M.,Mahdy, Hazem A.,Alsaif, Nawaf A.,Obaidullah, Ahmad J.,Alkahtani, Hamad M.,Al-Mehizia, Abdulrahman A.,Alsubaie, Sultan M.,Dahab, Mohammed A.,Eissa, Ibrahim H.
-
-
- Antibacterial and Antiviral Activities of 1,3,4-Oxadiazole Thioether 4H-Chromen-4-one Derivatives
-
Various 1,3,4-oxadiazole thioether 4H-chromen-4-one derivatives were conceived. The title compounds demonstrated striking inhibitory effects againstXac,Psa, andXoo. EC50data exhibited that A8 (19.7 μg/mL) had better antibacterial activity againstXoothan myricetin, BT, and TC. Simultaneously, the mechanism of action of A8 had been verified by SEM. The results of anti-tobacco mosaic virus indicated that A9 had the bestin vivoantiviral effect compared with ningnanmycin. From the data of MST, it could be seen that A9 (0.003 ± 0.001 μmol/L) exhibited a strong binding capacity, which was far superior to ningnanmycin (2.726 ± 1.301 μmol/L). This study shows that the 1,3,4-oxadiazole thioether 4H-chromen-4-one derivatives may become agricultural drugs with great potential.
- Cao, Xiao,Liu, Fang,Liu, Liwei,Liu, Tingting,Peng, Feng,Wang, Qifan,Xie, Chengwei,Xue, Wei,Yang, Jinsong
-
p. 11085 - 11094
(2021/10/01)
-
- Hydroxyl radical-mediated oxidative cleavage of CC bonds and further esterification reaction by heterogeneous semiconductor photocatalysis
-
A hydroxyl radical-mediated aerobic cleavage of alkenes and further sequence esterification reaction for the preparation of carbonyl compounds have been developed by using tubular carbon nitride (TCN) as a general heterogeneous photocatalyst under an oxygen atmosphere with visible light irradiation. This protocol has an excellent substrate scope and gives the desired aldehydes, ketones and esters in moderate to high yields. Importantly, this metal-free procedure employed photogenerated hydroxyl radicals in situ as green oxidation active species, avoiding the present additional initiators. The reaction could be carried out under solar light irradiation and was applicable to large-scale reactions. Furthermore, the recyclable TCN catalyst could be used several times without a significant loss of activities.
- Hong, Mei,Jia, Rui,Miao, Hongyan,Ni, Bangqing,Niu, Tengfei,Wang, Hui
-
p. 6591 - 6597
(2021/09/10)
-
- Alkali-modified heterogeneous Pd-catalyzed synthesis of acids, amides and esters from aryl halides using formic acid as the CO precursor
-
To establish an environmentally friendly green chemical process, we minimized and resolved a significant proportion of waste and hazards associated with conventional organic acids and molecular gases, such as carbon monoxide (CO). Herein, we report a facile and milder reaction procedure, using low temperatures/pressures and shorter reaction time for the carboxyl- and carbonylation of diverse arrays of aryl halides over a newly developed cationic Lewis-acid promoted Pd/Co3O4catalyst. Furthermore, the reaction proceeded in the absence of acid co-catalysts, and anhydrides for CO release. Catalyst reusability was achievedviascalable, safer, and practical reactions that provided moderate to high yields, paving the way for developing a novel environmentally benign method for synthesizing carboxylic acids, amides, and esters.
- Fapojuwo, Dele Peter,Maqunga, Nomathamsanqa Prudence,Meijboom, Reinout,Mogudi, Batsile M.,Molokoane, Pule Petrus,Onisuru, Oluwatayo Racheal,Oseghale, Charles O.
-
p. 26937 - 26948
(2021/08/17)
-
- Method for preparing carboxylic ester compounds by oxidizing and breaking carbon-carbon bonds of secondary alcohol compounds
-
The invention discloses a method for preparing carboxylic ester compounds by oxidizing and breaking carbon-carbon bonds of secondary alcohol compounds. The method comprises the following steps: adding a secondary alcohol compound, an additive and a nitrogen-doped mesoporous carbon loaded monatomic catalyst into a fatty primary alcohol solvent, putting into a pressure container, sealing, introducing oxygen source gas with a certain pressure, controlling the pressure of the oxygen source gas to be 0.1-1 MPa and the reaction temperature to be 80-150 DEG C, and obtaining a product after the reaction to be the carboxylic ester compound. The nitrogen-doped mesoporous carbon-loaded monatomic catalyst adopted by the invention is high in activity, the highest separation yield of the carboxylic ester compound as a reaction product reaches 99%, the method is wide in application range, the reaction conditions are easy to control, the catalyst can be recycled, the post-treatment is simple, and the method is suitable for industrial production.
- -
-
Paragraph 0058-0059; 0092
(2021/06/02)
-
- N-Heterocyclic Carbene Catalyzed Ester Synthesis from Organic Halides through Incorporation of Oxygen Atoms from Air
-
Oxygenation reactions with molecular oxygen (O2) as the oxygen source provides a green and straightforward strategy for the construction of O-containing compounds. Demonstrated here is a novel N-heterocyclic carbene (NHC) catalyzed oxidative transformation of simple and readily available organic halides into valuable esters through the incorporation of O-atoms from O2. Mechanistic studies prove that the deoxy Breslow intermediate generated in situ is oxidized to a Breslow intermediate for further transformation by this oxidative protocol. This method broadens the field of NHC catalysis and promotes oxygenation reactions with O2.
- Tan, Hui,Wang, Shen-An,Yan, Zixi,Liu, Jianzhong,Wei, Jialiang,Song, Song,Jiao, Ning
-
supporting information
p. 2140 - 2144
(2020/12/01)
-
- Methylation with Dimethyl Carbonate/Dimethyl Sulfide Mixtures: An Integrated Process without Addition of Acid/Base and Formation of Residual Salts
-
Dimethyl sulfide, a major byproduct of the Kraft pulping process, was used as an inexpensive and sustainable catalyst/co-reagent (methyl donor) for various methylations with dimethyl carbonate (as both reagent and solvent), which afforded excellent yields of O-methylated phenols and benzoic acids, and mono-C-methylated arylacetonitriles. Furthermore, these products could be isolated using a remarkably straightforward workup and purification procedure, realized by dimethyl sulfide‘s neutral and distillable nature and the absence of residual salts. The likely mechanisms of these methylations were elucidated using experimental and theoretical methods, which revealed that the key step involves the generation of a highly reactive trimethylsulfonium methylcarbonate intermediate. The phenol methylation process represents a rare example of a Williamson-type reaction that occurs without the addition of a Br?nsted base.
- Chan, Bun,Lui, Matthew Y.,Lui, Yuen Wai
-
-
- Oxidative esterification of alcohols by a single-side organically decorated Anderson-type chrome-based catalyst
-
The direct esterification of alcohols with non-noble metal-based catalytic systems faces great challenges. Here, we report a new chrome-based catalyst stabilized by a single pentaerythritol decorated Anderson-type polyoxometalate, [N(C4H9)4]3[CrMo6O18(OH)3C{(OCH2)3CH2OH}], which can realize the efficient transformation from alcohols to esters by H2O2oxidation in good yields and high selectivity without extra organic ligands. A variety of alcohols with different functionalities including some natural products and pharmaceutical intermediates are tolerated in this system. The chrome-based catalyst can be recycled several times and still keep the original configuration and catalytic activity. We also propose a reasonable catalytic mechanism and prove the potential for industrial applications.
- Wang, Jingjing,Jiang, Feng,Tao, Chaofu,Yu, Han,Ruhlmann, Laurent,Wei, Yongge
-
supporting information
p. 2652 - 2657
(2021/04/21)
-
- Cobalt single atoms anchored on nitrogen-doped porous carbon as an efficient catalyst for oxidation of silanes
-
The oxidation reactions of organic compounds are important transformations for the fine and bulk chemical industry. However, they usually involve the use of noble metal catalysts and suffer from toxic or environmental issues. Here, an efficient, environmentally friendly, and atomically dispersed Co catalyst (Co-N-C) was preparedviaa simple, porous MgO template and etching method using 1,10-phenanthroline as C and N sources, and CoCl2·6H2O as the metal source. The obtained Co-N-C catalyst exhibits excellent catalytic performance for the oxidation of silanes with 97% isolated yield of organosilanol under mild conditions (room temperature, H2O as an oxidant, 1.8 h), and good stability with 95% isolated yield after nine consecutive reactions. The turnover frequency (TOF) is as high as 381 h?1, exceeding those of most non-noble metal catalysts and some noble metal catalysts. Aberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), extended X-ray absorption fine structure (EXAFS), and wavelet transform (WT) spectroscopy corroborate the existence of atomically dispersed Co. The coordination numbers of Co affected by the pyrolysis temperature in Co-N-C-700, Co-N-C-800, and Co-N-C-900 are 4.1, 3.6, and 2.2, respectively. Owing to a higher Co-N3content, Co-N-C-800 shows more outstanding catalytic performance than Co-N-C-700 and Co-N-C-800. Moreover, density functional theory (DFT) calculations reveal that the Co-N3structure exhibits more activity compared with Co-N4and Co-N2, which is because the Co atom in Co-N3was bound with both H atom and Si atom, and it induced the longest Si-H bond.
- Yang, Fan,Liu, Zhihui,Liu, Xiaodong,Feng, Andong,Zhang, Bing,Yang, Wang,Li, Yongfeng
-
supporting information
p. 1026 - 1035
(2021/02/09)
-
- Aromatic acyl hydrazone derivative and application thereof as NA inhibitor
-
The invention relates to an aromatic acyl hydrazone derivative as shown in a structural formula I, pharmaceutically acceptable salt and a pharmaceutical composition thereof, and application of the aromatic acyl hydrazone derivative and the pharmaceutically acceptable salt and the pharmaceutical composition in preparation of an influenza virus neuraminidase inhibitor, wherein R is one of trifluoromethyl, nitryl, 3-methyl-4-nitryl, 3-hydroxyl-4-nitryl, 3-nitryl-4-hydroxyl, hydroxyl, dihydroxyl, dinitryl, 3-methoxy-4-hydroxyl or trihydroxyl; Y is selected from hydroxyl, dihydroxyl, 2-hydroxyl-3-methoxy, 2-hydroxyl-4-methoxy,2-hydroxyl-5-methoxy,2-hydroxyl-6-methoxy,3-hydroxyl-2-methoxy,3-hydroxyl-4-methoxy,3-hydroxyl-5-methoxy,3-hydroxyl-6-methoxy,4-hydroxyl-2-methoxy,4-hydroxyl-3-methoxy,4-hydroxyl-3,5-dimethoxy, trihydroxyl, 4-hydroxyl-3-ethoxy, or 4-hydroxyl-3,5-dimethoxy; w is selected from CH or N; and z is selected from CH or N.
- -
-
Paragraph 0039-0043; 0074-0078
(2020/12/30)
-
- Nickel salt of phosphomolybdic acid as a bi-functional homogeneous recyclable catalyst for base free transformation of aldehyde into ester
-
A Ni salt of phosphomolybdic acid (NiHPMA) was synthesized and characterized by various physico-chemical techniques such as EDX, UV-Visible spectroscopy, FT-IR, Raman spectroscopy and XPS. FT-IR and Raman spectroscopy confirm the presence of Ni as a counter cation while UV-Visible and XPS studies to confirm the presence of Ni(ii) in the catalyst. The catalyst was evaluated for its bi-functional activity towards the tandem conversion of benzaldehyde to ethyl benzoate and it was found that very small amounts of Ni (2.64 × 10?3mmol) enhance the selectivity towards benzoate. A detailed mechanistic study was carried out by UV-Visible and Raman spectroscopy to confirm that both intermediate species, Mo-peroxo and Ni-oxo, are responsible for higher selectivity towards esters. Further, a study to determine the effect of addenda atoms (heteropoly acid) was also carried out. The catalyst was also found to be viable for a number of aldehydes under optimized conditions.
- Patel, Anjali,Patel, Jay
-
p. 22146 - 22155
(2020/07/03)
-
- Synthesis of Some Aromatic and Aliphatic Esters Using WO3/ZrO2 Solid Acid Catalyst under Solvent Free Conditions
-
A simple method is delineated for the synthesis of substituted ester products in superior yields by esterification reaction under solvent unbound condition using tungsten upgraded ZrO2 solid acid catalyst at 353 K. The WO3/ZrO2 catalyst has been prepared by using impregnation method followed by calcination at 923 K over a period of 6 h in air atmosphere. SEM, XRD, FTIR, and BET surface area techniques were used to categorize this catalyst. Zirconia has both acidic and basic possessions which can be changed by incorporating suitable promoter atom like tungsten which in turn increases the surface area thereby enhancing the surface acidity. Impregnation of W6+ ions exhibits a strong influence on phase modification of zirconia from thermodynamically solid monoclinic to metastable tetragonal phase. Amalgamation of promoter W6+ will stabilize tetragonal phase which is active in catalyzing reactions. In esterification reaction WO3/ZrO2 catalyst was found to be stable, efficient and environmental friendly, effortlessly recovered by filtration, excellent yield of product and can be reusable efficiently.
- Guguloth, Vijaya Charan,Battu, Satyanarayana
-
p. 2153 - 2157
(2020/09/16)
-
- Discovery of new ATP-competitive inhibitors of human DNA topoisomerase IIα through screening of bacterial topoisomerase inhibitors
-
Human DNA topoisomerase II is one of the major targets in anticancer therapy, however ATP-competitive inhibitors of this target have not yet reached their full potential. ATPase domain of human DNA topoisomerase II belongs to the GHKL ATPase superfamily and shares a very high 3D structural similarity with other superfamily members, including bacterial topoisomerases. In this work we report the discovery of a new chemotype of ATP-competitive inhibitors of human DNA topoisomerase IIα that were discovered through screening of in-house library of ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV. Systematic screening of this library provided us with 20 hit compounds. 1,2,4-Substituted N-phenylpyrrolamides were selected for a further exploration which resulted in 13 new analogues, including 52 with potent activity in relaxation assay (IC50 = 3.2 μM) and ATPase assay (IC50 = 0.43 μM). Cytotoxic activity of all hits was determined in MCF-7 cancer cell line and the most potent compounds, 16 and 20, showed an IC50 value of 8.7 and 8.2 μM, respectively.
- Baran?oková, Michaela,Durcik, Martina,Gramec Skledar, Darja,Ila?, Janez,Kikelj, Danijel,Peterlin Ma?i?, Lucija,Skok, ?iga,Toma?i?, Tihomir,Zega, Anamarija,Zidar, Nace
-
-
- 1,2,4-Triazole-conjugated 1,3,4-thiadiazole hybrid scaffolds: A potent ameliorant of carrageenan-induced inflammation by lessening proinflammatory mediators
-
Inflammation acts as an alarming signal for the progression of various biological complications. Various reports in the literature have revealed that heterocycle-containing synthetic compounds have a restorative capability against acute and chronic inflammatory stages. In the current study, we synthesized a series of 1,2,4-triazole-conjugated 1,3,4-thiadiazole hybrid scaffolds and evaluated their impacts against carrageenan-induced paw edema and proinflammatory markers in Wistar rats. Further, 3D QSAR study (three-dimensional quantitative structure–activity relationships), ADMET (absorption, distribution, metabolism, and excretion) profiling, and docking studies were performed to determine the possible mechanism of the action of the derivatives. The study shows that the most active derivatives, 13f and 13g, have optimal logP, a higher anti-inflammatory activity score, and poor metabolism at various sites of cytochrome P450. The docking studies recommended that the synthesized compounds have a similar affinity as the ligands A307, 63X, and S58 to interact with tumor necrosis factor-α, COX-1, and COX-2. So, these molecules will definitely hold a promise for the future drug development initiative.
- Pathak, Prateek,Shukla, Parjanya K.,Naumovich, Vladislav,Grishina, Maria,Verma, Amita,Potemkin, Vladimir
-
-
- Modulation of estrogen-related receptors subtype selectivity: Conversion of an ERRβ/γ selective agonist to ERRα/β/γ pan agonists
-
Estrogen Related Receptors (ERRs) are key regulators of energy homeostasis and play important role in the etiology of metabolic disorders, skeletal muscle related disorders, and neurodegenerative diseases. Among the three ERR isoforms, ERRα emerged as a potential drug target for metabolic and neurodegenerative diseases. Although ERRβ/γ selective agonist chemical tools have been identified, there are no chemical tools that effectively target ERRα agonism. We successfully engineered high affinity ERRα agonism into a chemical scaffold that displays selective ERRβ/γ agonist activity (GSK4716), providing novel ERRα/β/γ pan agonists that can be used as tools to probe the physiological roles of these nuclear receptors. We identified the structural requirements to enhance selectivity toward ERRα. Molecular modeling shows that our novel modulators have favorable binding modes in the LBP of ERRα and can induce conformational changes where Phe328 that originally occupies the pocket is dislocated to accommodate the ligands in a rather small cavity. The best agonists up-regulated the expression of target genes PGC-1α and PGC-1β, which are necessary to achieve maximal mitochondrial biogenesis. Moreover, they increased the mRNA levels of PDK4, which play an important role in energy homeostasis.
- Avdagic, Amer,Billon, Cyrielle,Burris, Sheryl L.,Burris, Thomas P.,Elagawany, Mohamed,Elgendy, Bahaa,Goher, Shaimaa S.,Hegazy, Lamees,Sanders, Ryan,Shahien, Mohamed,Sitaula, Sadichha
-
-
- Methoxylation of Acyl Fluorides with Tris(2,4,6-trimethoxyphenyl)phosphine via C-OMe Bond Cleavage under Metal-Free Conditions
-
Acyl fluorides are subjected to methoxylation with tris(2,4,6-trimethoxyphenyl)phosphine (TMPP) to afford the corresponding methyl esters in good to excellent yields. This transformation is featured by C(sp2)-OMe bond cleavage under metal-free conditions. Unprecedented utilization of TMPP as a methoxylating agent realized the installation of an OMe group into the desired products.
- Ishida, Takumi,Nishihara, Yasushi,Wang, Xiu,Wang, Zhenhua
-
p. 7526 - 7533
(2020/06/27)
-
- Ni-catalyzed direct alcoholysis of N-acylpyrrole-type tertiary amides under mild conditions
-
N-Acylpyrrole-type amides are a class of versatile building blocks in asymmetric synthesis. We report that by employing Ni(COD)2/2,2′-bipyridine (5 mol%) catalytic system, the direct, catalytic alcoholysis of N-acylpyrrole-type aromatic and aliphatic amides with both primary and secondary alcohols can be achieved efficiently under very mild conditions (rt, 1 h) even at gram scale. By increasing the catalyst loading to 10 mol%, prolonging reaction time (18 h), and/or elevating reaction temperature to 50 °C/80 °C, the reaction could be extended to both complex and hindered N-acylpyrroles as well as to N-acylpyrazoles, Nacylindoles, and to other (functionalized) primary and secondary alcohols. In all cases, only 1.5 equiv. of alcohol were used. The value of the method has been demonstrated by the racemization-free, catalytic alcoholysis of chiral amides yielded from other asymmetric methodologies.
- Chen, Hang,Chen, Dong-Huang,Huang, Pei-Qiang
-
p. 370 - 376
(2020/03/03)
-
- Nickel-Catalyzed Esterification of Amides Under Mild Conditions
-
Abstract: The use of ligands to adjust the catalytic activity of the catalyst for esterification of amides is challenge in organic chemistry. In this paper, Nickel(II)-NHC-catalyzed the esterification reaction between N,N-di-Boc amide and alcohols at room temperature have been demonstrated. The imidazolium salt bearing a hydroxyl functionalized side arm showed high effective catalytic activity in the activation of the amide N–C bond in air atmosphere. Graphic Abstract: [Figure not available: see fulltext.].
- Li, Jun-Fei,Wang, Yao-Fang,Wu, Yuan-Yuan,Liu, Wen-Jing,Wang, Jun-Wen
-
p. 874 - 880
(2019/11/13)
-
- Facile synthesis of a highly efficient Co/Cu@NC catalyst for base-free oxidation of alcohols to esters
-
The direct oxidation of alcohols to esters is an environmentally benign and cost-effective organic synthetic strategy, but it is still a great challenge to discover an economic, highly active, and long-term stable catalyst for efficient transformation of alcohols to esters under milder conditions. Herein, we developed cobalt and copper nanoparticle -co-decorated nitrogen-doped carbon catalysts (CoCu@NCn) through two steps of ball milling and calcination. It was found that CoCu@NCn could catalyze the oxidation of alcohols to esters effectively in the absence of basic additives. The catalytic activity was much higher than those of monometallic Co@NC2 and Cu@NC2 samples, and the catalyst can be conveniently recovered and quite steadily reused. Through a series of control experiments and characterizations, it is concluded that the remarkable catalytic performance of CoCu@NC2 was associated with the synergistic effect between the two metal components, the enhanced basic active sites and the active surface area.
- Jiang, Jiusheng,Li, Xiang,Du, Shengyu,Shi, Langchen,Jiang, Pingping,Zhang, Pingbo,Dong, Yuming,Leng, Yan
-
p. 7780 - 7785
(2020/06/09)
-
- Gold(I)-Thiolate Oligomers for Catalytic Hydrogenation of Nitroaromatics in Aqueous and Organic Medium
-
Thiolated gold nanoclusters (AuNCs) have been introduced to efficiently and selectively catalyze the hydrogenation of nitroaromatics due to the strong interaction of their S?Au-S staple motifs with the nitro groups of nitroaromatics. However, without a gold core, gold(I)-thiolate oligomers (AuSOs) with S?Au-S staple motifs are rarely explored as catalysts for nitroaromatics. Here, we report a straightforward strategy for the synthesis of AuSOs through hydroxyl radical-induced leaching of glutathione-capped gold nanoparticles (GSH-AuNPs). Raman spectroscopy and matrix-assisted laser desorption/ionization-time of flight mass spectrometry demonstrated that hydroxyl radical-triggered etching of the GSH-AuNPs resulted in the production of AuSOs, including Au4(GSH)7 and Au7(GSH)9. The AuSOs were found to catalyze NaBH4-mediated hydrogenation of 4-nitrophenol to 4-aminophenol with a chemoselectivity of ～100 percent and a normalized rate constant (Knor) of 4.8×105 s? g?1. In addition to the high affinity of the S?Au?S staple motifs for 4-nitrophenol, the unusual catalytic activity of the AuSOs was attributable to the fact that they efficiently catalyzed the production of H2 from NaBH4 and the reaction of dissolved oxygen and NaBH4. The chemoselectivity and applicability of the AuSOs were further verified by performing the catalytic reaction of methyl 2-(2-nitrophenyl) acetate or methyl 4-nitrobenzoate with NaBH4.
- You, Jyun-Guo,Jin, Dun-Yuan,Tseng, Wei-Bin,Tseng, Wei-Lung,Lin, Po-Chiao
-
p. 4558 - 4567
(2020/08/19)
-
- N-Nitroheterocycles: Bench-Stable Organic Reagents for Catalytic Ipso-Nitration of Aryl- And Heteroarylboronic Acids
-
Photocatalytic and metal-free protocols to access various aromatic and heteroaromatic nitro compounds through ipso-nitration of readily available boronic acid derivatives were developed using non-metal-based, bench-stable, and recyclable nitrating reagents. These methods are operationally simple, mild, regioselective, and possess excellent functional group compatibility, delivering desired products in up to 99% yield.
- Budinská, Alena,Katayev, Dmitry,Passera, Alessandro,Zhang, Kun
-
supporting information
(2020/03/30)
-
- Palladium-catalyzed aryloxy- and alkoxycarbonylation of aromatic iodides in γ-valerolactone as bio-based solvent
-
Fossil-based solvents and triethylamine as a toxic and volatile base were successfully replaced with γ-valerolactone as a non-volatile solvent and K2CO3 as inorganic base in the alkoxy- and aryloxycarbonylation of aryl iodides using phosphine-free Pd catalyst systems. By this, the traditional systems were not simply replaced but also significantly improved. In the study, the effects of different reaction parameters, i.e. the use of several other solvents, the temperature, the carbon monoxide pressure, the base and the catalyst concentrations, were evaluated in details on the efficiency of the carbonylations. To gather some information on the mechanism of these reactions, the effects of the electronic parameters (σ) of various aromatic substituents of the aryl iodides as well as the influence of para-substitution of phenol were investigated on the activity. For a comparison, the aryl-substituted aryl iodides were also reacted with methanol and aryl iodide was also alkoxycarbonylated using several different lower alcohols. From the observed correlations between the electronic parameters of the aromatic substituents and the rates, it appears that the rate determining step is the oxidative addition of Ar–I to Pd0, provided that sufficient amounts of nucleophiles are present for the ester formation. If this is not the case, the rate of nucleophile attack might determine the overall rate.
- Tukacs, József M.,Marton, Bálint,Albert, Eszter,Tóth, Imre,Mika, László T.
-
-
- The synergistic role of the support surface and Au-Cu alloys in a plasmonic Au-Cu?LDH photocatalyst for the oxidative esterification of benzyl alcohol with methanol
-
Layered double hydroxide-supported Au-Cu alloy nanoparticles (NPs) were found to be highly efficient catalysts for the oxidative esterification of benzyl alcohol with methanol in the presence of molecular oxygen under visible-light irradiation to prepare methyl benzoate. Here, we report that alloying small amounts of copper into gold nanoparticles can increase the ability to activate oxygen molecules to O2- radicals and display greater charge heterogeneity to promote the cleavage of the C-H bond of benzyl alcohol molecules by reinforcing the coordination of the intermediate with unsaturated metal active sites due to the LSPR effect of alloy NPs, which is the rate-limiting step of the reaction. Besides the Au-Cu alloy NPs, the support also played a pivotal role in the catalytic process. The support with the presence of acid-base pairs, in which the basic sites served as the reactant molecule adsorption sites to provoke the intermediate formation and the acidic sites promoted the recovery of the support surface, showed better performances by affecting the overall reaction rate completely. Moreover, applying this photocatalyst in the cross-esterification of aromatic alcohols and aliphatic alcohols displayed excellent yields.
- Wang, Xiaoyu,Wang, Ruiyi,Wang, Jie,Fan, Chaoyang,Zheng, Zhanfeng
-
p. 1655 - 1664
(2020/01/31)
-
- METHOD FOR THE SYNTHESIS AND PURIFICATION OF ARYL ACID ESTERS
-
The general inventive concepts are directed to the discovery that certain aryl acids can be esterified under particular conditions to provide the resulting ester as a solid that precipitates in good yield from the reaction mixture. The esters may then be isolated and purified with relative ease. Accordingly, a method for the esterification, isolation, and purification of aryl acids is provided.
- -
-
Paragraph 0028
(2019/10/17)
-
- Aldehydes as potential acylating reagents for oxidative esterification by inorganic ligand-supported iron catalysis
-
The oxidative esterification of various aldehydes with alcohols could be achieved by a heterogeneous iron(iii) catalyst supported on a ring-like POM inorganic ligand under mild conditions, affording the corresponding esters, including several drug molecules and natural products, in high yields. ESI-MS and control experiments demonstrated that POM-FeV(O) was the active catalytic species and the plausible mechanism was presented. More importantly, the 6th run of the iron catalyst recycles shows only a slight decrease in the yield.
- Yu, Han,Wang, Jingjing,Wu, Zhikang,Zhao, Qixin,Dan, Demin,Han, Sheng,Tang, Jiangjiang,Wei, Yongge
-
supporting information
p. 4550 - 4554
(2019/08/21)
-
- Metal-free aerobic oxidative esterification of aromatic aldehydes promoted by potassium fluoride (KF)
-
We investigated the oxidative esterification of aldehydes with alcohols/phenols to produce a range of esters. In this approach, we conducted the reaction under metal-free conditions at room temperature. The reactions were promoted by potassium fluoride (KF) as the additive, resulting in the desired product in good to high yields. This procedure was found to be effective for the production of aryl esters, which are challenging in most of the available reports. It is vital for this procedure not to exclude air as the source of oxygen.
- Soltani, Roghaye,Ghaderi, Arash
-
p. 1572 - 1576
(2019/06/24)
-
- Woody species: A new bio-based material for dual Ca/Mg catalysis with remarkable Lewis acidity properties
-
Advances in green catalysis have promoted the development of ecocatalysis encountered in most of the main transformations of organic chemistry. Taking advantage of the remarkable capacity of certain plants to hyperaccumulate transition metals into shoots or roots, we have addressed the direct use of metals derived from contaminated plant wastes as supported Lewis acid catalysts, coupling agents, oxidative and reducing catalysts in green chemistry. This approach constituted the first example of chemical catalyst based on phytotechnologies. Herein, we show that the concept can be extended to common and abundant plant species that are surprisingly appropriated for chemical catalysis. We present that willow, birch, plane and linden trees can be used to produce bio-based and original Lewis acid catalysts. The catalytic potential of these species will be illustrated through two representative transformations, acetalisation and oxidative esterification. Thanks to their original polymetallic composition, ecocatalysts provided better results compared to classical metal chlorides such as MgCl2, CaCl2 or ZnCl2. This illustrates the interest of the ecocatalysis and is incorporated within the green and sustainable chemistry concept.
- Deyris, Pierre-Alexandre,Adler, Pauline,Petit, Eddy,Legrand, Yves-Marie,Grison, Claude
-
p. 3133 - 3142
(2019/06/18)
-
- Dehydrogenative Coupling of Aldehydes with Alcohols Catalyzed by a Nickel Hydride Complex
-
A nickel hydride complex, {2,6-(iPr2PO)2C6H3}NiH, has been shown to catalyze the coupling of RCHO and R′OH to yield RCO2R′ and RCH2OH, where the aldehyde also acts as a hydrogen acceptor and the alcohol also serves as the solvent. Functional groups tolerated by this catalytic system include CF3, NO2, Cl, Br, NHCOMe, and NMe2, whereas phenol-containing compounds are not viable substrates or solvents. The dehydrogenative coupling reaction can alternatively be catalyzed by an air-stable nickel chloride complex, {2,6-(iPr2PO)2C6H3}NiCl, in conjunction with NaOMe. Acids in unpurified aldehydes react with the hydride to form nickel carboxylate complexes, which are catalytically inactive. Water, if present in a significant quantity, decreases the catalytic efficiency by forming {2,6-(iPr2PO)2C6H3}NiOH, which causes catalyst degradation. On the other hand, in the presence of a drying agent, {2,6-(iPr2PO)2C6H3}NiOH generated in situ from {2,6-(iPr2PO)2C6H3}NiCl and NaOH can be converted to an alkoxide species, becoming catalytically competent. The proposed catalytic mechanism features aldehyde insertion into the nickel hydride as well as into a nickel alkoxide intermediate, both of which have been experimentally observed. Several mechanistically relevant nickel species including {2,6-(iPr2PO)2C6H3}NiOC(O)Ph, {2,6-(iPr2PO)2C6H3}NiOPh, and {2,6-(iPr2PO)2C6H3}NiOPh·HOPh have been independently synthesized, crystallographically characterized, and tested for the catalytic reaction. While phenol-containing molecules cannot be used as substrates or solvents, both {2,6-(iPr2PO)2C6H3}NiOPh and {2,6-(iPr2PO)2C6H3}NiOPh·HOPh are efficient in catalyzing the dehydrogenative coupling of PhCHO with EtOH.
- Eberhardt, Nathan A.,Wellala, Nadeesha P. N.,Li, Yingze,Krause, Jeanette A.,Guan, Hairong
-
p. 1468 - 1478
(2019/04/17)
-
- 1,3-Dibromo-5,5-dimethylhydantoin as a Precatalyst for Activation of Carbonyl Functionality
-
Activation of carbonyl moiety is one of the most rudimentary approaches in organic synthesis and is crucial for a plethora of industrial-scale condensation reactions. In esterification and aldol condensation, which represent two of the most important reactions, the susceptibility of the carbonyl group to nucleophile attack allows the construction of a variety of useful organic compounds. In this context, there is a constant need for development of and improvement in the methods for addition-elimination reactions via activation of carbonyl functionality. In this paper, an advanced methodology for the direct esterification of carboxylic acids and alcohols, and for aldol condensation of aldehydes using widely available, inexpensive, and metal-free 1,3-dibromo-5,5-dimethylhydantoin under neat reaction conditions is reported. The method is air- and moisture-tolerant, allowing simple synthetic and isolation procedures for both reactions presented in this paper. The reaction pathway for esterification is proposed and a scale-up of certain industrially important derivatives is performed.
- ?ebular, Klara,Bo?i?, Bojan ?.,Stavber, Stojan
-
supporting information
(2019/08/01)
-
- A medicinal composition for combining thioxanthone paclitaxel and STAT3 inhibitor
-
A medicinal composition for combining thioxanthone paclitaxel and STAT3 inhibitor, comprising an active ingredient and a pharmaceutically acceptable adjuvant, characterized in that the active ingredient is composed of paclitaxel and a STAT3 inhibitor represented by formula (I) (shown in the description), and the mass ratio of the paclitaxel to the STAT3 inhibitor represented by formula (I) in theactive ingredient is (0.18 to 0.32): 1. The compound has an effect on MDA having persistently activated STAT3 activity-MB-468 cell, DU-145 cells had good inhibitory effect.
- -
-
Paragraph 0059; 0060; 0061; 0062
(2019/01/23)
-
- A paclitaxel and carbazole class STAT inhibitors methanesulfonate crystalline form P combination pharmaceutical composition (by machine translation)
-
Books invention provides a paclitaxel and carbazole class STAT inhibitors methanesulfonate crystalline form P combination pharmaceutical composition, comprising an active ingredient and a pharmaceutically acceptable auxiliary material, wherein the active ingredient by the taxol of formula (I) indicated by the STAT3 inhibitor P a crystalline form, the active ingredient of taxol in the formula (I) indicated by the STAT3 inhibitors crystal mass ratio of P (0.09 - 0.21): 1. The P crystalline form has good physical and chemical stability, solubility and bioavailability, particle size is suitable in size, and the distribution of the particle size distribution curve of a regular [...], suitable for formulation development. (by machine translation)
- -
-
Paragraph 0058-0061
(2019/02/13)
-
- A fluorene STAT3 inhibitor and its preparation method
-
The invention belongs to the field of medicinal chemistry, relates to a compound of formula (I) of fluorene STAT3 inhibitor and its application, in particular to a kind of with signal conduction with a transcription activating factor - 3 inhibiting effect of a compound, pharmaceutical composition containing the compound, and the compound or pharmaceutical composition as the use of the cancer therapy, the compounds with sustained activation of STAT3 activity of MDA - MB - 468 cell, DU - 145 cell good inhibition effect.
- -
-
Paragraph 0060-0063
(2019/02/13)
-
- A carbazole class STAT inhibitors maleic acid salt crystal form II combination pharmaceutical composition and its preparation method
-
The invention belongs to the field of medicinal chemistry, and in particular relates to with tumor compound of 4 - (9 - ethyl - 9 H - carbazole - 4 - yl) - 6 - (4 - aminophenyl alkene propionyl) - N - (2 - methyl - 4 H - chromene - 4 - keto) - 1, 3, 5 - triazine - 2 - amine maleic acid salt of a new crystalline form, its preparation method, comprising the composition of said form, said form and said form or comprise the composition of use in the preparation of the medicament, the crystalline form II has good physical and chemical stability, solubility and bioavailability, is suitable for formulation development.
- -
-
Paragraph 0055-0058
(2019/02/13)
-
- STAT3 inhibitors and application thereof
-
The invention belongs to the field of medical chemistry, relates to STAT3 inhibitors and an application thereof and particularly relates to compounds for inhibiting the signal transduction and transcription activator-3, a pharmaceutical composition containing the compound and a use of the compounds or the pharmaceutical composition as cancer treatment drugs. The compounds can well inhibit MDA-MB-468 cells and DU-145 cells with sustained STAT3 activity.
- -
-
Paragraph 0053-0056
(2019/01/20)
-
- Preparation method of STAT3 inhibitor
-
The invention belongs to the field of medical chemistry, relates to a class-I STAT3 inhibitor and an application thereof, and particularly relates to a method for preparing compounds having signal transduction and transcriptional activator 3 inhibitory effects. The compounds can well inhibit MDA-MB-468 cells and DU-145 cells with continuous STAT3 activity.
- -
-
Paragraph 0063; 0064-0066
(2019/01/23)
-
- Combined pharmaceutical composition of paclitaxel and dibenz [b, d] thiophene STAT inhibitor tartrate
-
The invention provides a combined pharmaceutical composition of paclitaxel and dibenz [b, d] thiophene STAT inhibitor tartrate, comprising active ingredients and pharmaceutically acceptable excipients. The active ingredient consists of paclitaxel and dibenz [b, d] thiophene STAT inhibitor tartrate represented by formula (I), and the mass ratio of paclitaxel to dibenz [b, d] thiophene STAT inhibitor tartrate represented by formula (I) in the active ingredient is (0.09 to 0.21): 1. A tartrate salt in that composition has good water solubility, high bioavailability and good stability.
- -
-
Paragraph 0043-0046
(2019/01/24)
-
- A medicinal composition for combine paclitaxel and fluorenone STAT3 inhibitor
-
Disclosed is a medicinal composition for combine paclitaxel and fluorenone STAT3 inhibitor comprising an active ingredient and a pharmaceutically acceptable adjuvant, characterized in that the activeingredient is composed of paclitaxel and a STAT3 inhibitor represented by formula (I), and the mass ratio of the paclitaxel to the STAT3 inhibitor represented by formula (I) in the active ingredient is (0.21 to 0.32): 1. The compound has an effect on MDA having persistently activated STAT3 activity-MB-468 cell, DU-145 cells had good inhibitory effect.
- -
-
Paragraph 0058-0061
(2019/01/24)
-
- A paclitaxel and carbazole class STAT3 inhibitor crystalline form A combination pharmaceutical composition
-
The present invention provides a kind of paclitaxel and carbazole class STAT3 inhibitor crystalline form A combination pharmaceutical composition, comprising an active ingredient and a pharmaceutically acceptable auxiliary material, characterized in that the by the taxol the active ingredient of the formula (I) indicated by the STAT3 inhibitors A a crystalline form, the active ingredient of taxol in the formula (I) indicated by the STAT3 inhibitors the mass ratio of the crystalline form A (0.09 - 0.21): 1. The A crystalline form has good physical and chemical stability, solubility and bioavailability, suitable for formulation development.
- -
-
Paragraph 0029; 0056-0059
(2019/02/13)
-
- Indoles STAT3 (Signal Transducer and Activator of Transcription-3) inhibitor and preparation method thereof
-
The invention belongs to the field of medical chemistry, and relates to an STAT3 (Signal Transducer and Activator of Transcription-3) inhibitor represented by the formula (I) and a preparation methodand application thereof, in particular to a compound having a STAT3 inhibition effect, a pharmaceutical composition containing the compound, and use of the compound or pharmaceutical composition as atherapeutic drug for cancers. The compound has a good inhibition effect on MDA-MB-468 cells and DU-145 cells which have sustainably activated STAT3 activity.
- -
-
Paragraph 0054-0057
(2019/02/27)
-
- Mesylate of STAT3 inhibitor as well as preparation method and application thereof
-
The invention belongs to the field of medicinal chemistry and relates to mesylate of a STAT3 inhibitor as well as a preparation method and application thereof. Particularly, the invention relates to mesylate of 4-(9-ethyl-9H-carbazole-4-yl)-6-(4-allylaminophenyl)-N-(2-methyl-4H-chromene-4-one)-1,3,5-triazine-2-amine as well as a preparation method and application thereof. The structure of the mesylate of 4-(9-ethyl-9H-carbazole-4-yl)-6-(4-allylaminophenyl)-N-(2-methyl-4H-chromene-4-one)-1,3,5-triazine-2-amine is as shown in the description. The mesylate is excellent in water solubility, high in bioavailability and excellent in stability.
- -
-
Paragraph 0043-0046
(2019/02/27)
-
- Dibenzo [b, d] thiophene STAT3 inhibitors of M crystal form and its preparation method
-
The invention belongs to the field of medicinal chemistry, with tumor specific relates to the effect of a compound 4 - (dibenzo [b, d] thiophene - 4 - yl) - 6 - (4 - aminophenyl alkene propionyl) - N - (2 - methyl - 4 H - chromene - 4 - keto) - 1, 3, 5 - triazine - 2 - deferoxamine mesylate salt of a new crystalline form, its preparation method, comprising the composition of said form, said form and said form or comprise the composition of use in the preparation of the medicament, the A crystalline form has good physical and chemical stability, solubility and bioavailability, is suitable for formulation development.
- -
-
Paragraph 0058-0061
(2019/02/13)
-
- Carbazole STAT3 inhibitor crystal form I and preparation method thereof
-
The invention belongs to the field of medical chemistry and particularly relates to a novel crystal form of a compound 4-(9-ethyl-9H-carbazole-4)-6-(4-acrylyl aminophenyl)-N-(2-methyl-4H-chromene-4-ketone)-1,3,5-triazine-2-amine maleate with an anti-tumor effect, a preparation method of the novel crystal form, a composition comprising the crystal form, and an application of the crystal form or thecomposition comprising the crystal form in medicine preparation. The crystal form I has good physical and chemical stability, solubility and bioavailability and is suitable for preparation development.
- -
-
Paragraph 0032; 0059-0062
(2019/02/27)
-
- Crystal form A of fluorenone STAT3 inhibitor and preparation method
-
The invention belongs to the field of medical chemistry, relates to a fluorenone STAT3 inhibitor represented by a formula (I) and an application thereof and particularly relates to a compound with a signal transduction effect and an inhibition effect on a transcriptional activation factor-3, a pharmaceutical composition containing the compound and use of the compound or the pharmaceutical composition as a cancer treatment drug. The compound has good inhibition effect to MDA-MB-468 cells and DU-145 cells which have continuously-activated STAT3 activity.
- -
-
Paragraph 0065; 0066-0068
(2019/03/06)
-
