- Modulation of charge transport through single-molecule bilactam junctions by tuning hydrogen bonds
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Bilactam derivatives with different side groups were synthesized and the twisting angle tuning effect induced by the intramolecular hydrogen bond on the charge transport through their single-molecule junctions was investigated. Molecules with strong intramolecular hydrogen bonds exhibited twice higher conductance because of the reduced dihedral twisting, which was reversible with the addition of hydrogen bond destroying solvent. Our findings reveal that the presence of intramolecular hydrogen bonds promotes the planarization of the molecular structure without additional transmission channels, offering a new strategy for controlling molecular switchesviatuning the molecular twisting.
- Chen, Yaorong,Wang, Hua-Chun,Tang, Yongxiang,Zhou, Yu,Huang, Longfeng,Cao, Jian,Tang, Chun,Zhang, Manxi,Shi, Jia,Liu, Junyang,Ren, Xiancheng,Xu, Yun-Xiang,Hong, Wenjing
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Read Online
- A distorted lactam unit with intramolecular hydrogen bonds as the electron donor of polymer solar cells
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A novel distorted lactam motif, namely 4,4′-dialkyl-[6,6′-bithieno[3,2-b]pyridine]-5,5′(4H,4′H)-dione (BTP), could lock itself by intramolecular hydrogen bonds. In view of the potential of the motif, two D-A conjugated polymers, PBDT-BTP-HD and PBDT-BTP-OD, with two different long side chains consisting of 4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene (BDT) as a donor unit and BTP as an acceptor unit were designed and synthesized. Furthermore, the photophysical, electrochemical and photovoltaic properties of both polymers were investigated. The morphologies and molecular ordering of the neat polymers and blend films were also probed to relate the side chain structures with aggregation states and device parameters. The device based on PBDT-BTP-OD with IT-M exhibited a power conversion efficiency of up to 9.54% thanks to the synergistic effect of the building blocks and side-chain engineering. As a result, it is successfully demonstrated that the novel distorted lactam BTP is a promising building block in organic solar cells.
- Wang, Hua-Chun,Ren, Minrun,Cao, Jian,Yin, Hong-Bo,Zhang, Guichuan,Xiao, Jingyang,Ren, Xiancheng,Yip, Hin-Lap,Xu, Yun-Xiang
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Read Online
- Dimeric 3,5-bis(benzylidene)-4-piperidones: A novel cluster of tumour-selective cytotoxins possessing multidrug-resistant properties
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A series of bis[3,5-bis(benzylidene)-4-oxo-1-piperidinyl]amides 1 display potent cytotoxic properties towards a wide range of tumours. A number of the CC50 and IC50 values are in the range of 10-8 M. Specifically, these compounds have the following important properties. First, greater toxicity was demonstrated towards certain tumours than various non-malignant cells. Second, various compounds in series 1 are toxic to a number of human colon cancer and leukaemic cells. Third, these compounds reverse P-gp mediated multidrug resistance. Various prototypic molecules such as 1a,b and 1i were identified as lead molecules for further studies. A representative lead molecule 1b induces apoptosis via internucleosomal DNA fragmentation and PARP cleavage in HSC-2 and HL-60 cells while flow cytometry revealed that this compound blocked the G2/M and S-phases in the cell cycle of human colon cancer HCT-116 cells.
- Das, Swagatika,Das, Umashankar,Sakagami, Hiroshi,Umemura, Naoki,Iwamoto, Shoko,Matsuta, Tomohiko,Kawase, Masami,Molnár, Joseph,Serly, Julianna,Gorecki, Dennis K.J.,Dimmock, Jonathan R.
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Read Online
- Ice-like encapsulated water by two cholic acid moieties
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Starting from the structure of ice (in which each water molecule is surrounded by other four water molecules forming a tetrahedron with a value of 4.51 A for the edge O-O distance), and the knowledge that this value also corresponds to the O7-O12 distance of the skeleton of cholic acid, it is hypothesized that two steroid cholic acid moieties, with an appropriate steroid-steroid distance and a belly-to-belly orientation, could encapsulate a single water molecule between them. To check this hypothesis two succinyl derivatives of cholic acid (a monomer and the related head-head dimer in which the succinyl group is the linking bridge) were designed. The expected "ice-like" structure is found in the crystal of the dimer. There is a hydrogen bond synergy between those participating in the "ice-like" structure, and those in which the bridge is involved with the O7-H hydroxy group and the side chain of the steroid.
- Soto, Victor H.,Alvarez, Mercedes,Meijide, Francisco,Trillo, Juan V.,Antelo, Alvaro,Jover, Aida,Galantini,Tato, Jose Vazquez
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Read Online
- Ruthenium-catalyzed cascade metathetical cyclopolymerization of bisnorbornenes with flexible linkers
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Treatments of bisnorbornenes tethered by a flexible linker (triethylene glycol, tetramethylene moiety, or crown ether) with the first generation of Grubbs catalyst give the corresponding single-stranded polybisnorbornenes via cascade metathetical cyclopolymerization (CMCP). The structures of these polymers were proved by spectroscopic means, MALDI-TOF mass spectrometry, gel permeation chromatography, and dynamic light scatterings as well as by chemical degradation via hydrolysis followed by esterification. The presence of N-aryl pendants to connect the norbornene moiety and the flexible linker is crucial for the success of such CMCP process. Presumably, intramolecular π-π interactions between the pending aryl groups may take place to direct the ring closure process. Substrates without such N-aryl pendants give a mixture of single- and double-stranded polynorbornenes in addition to cross-linking polymers.
- Chen, Chung-Hsuan,Chen, Chun-Hsien,Zhu, Lei,Lin, Nai-Ti,Xie, Zhen-Yu,Lee, Shern-Long,Huang, Shou-Ling,Yang, Jian-He,Lee, Yu-Der,Luh, Tien-Yau
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Read Online
- Citrate plasticizer
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The invention discloses a citrate plasticizer and a preparation method thereof, and the preparation method of citrate comprises the following steps: firstly, citric acid and alcohol react to prepare citric acid triester, and then dianhydride acylation is carried out to prepare carboxyl-containing citric acid triester. After chlorination, the carboxyl-containing citric acid triester and the tris(2-ethoxyl) isocyanurate are subjected to esterification reaction to prepare triester citrate containing the isocyanurate. According to the present invention, the preparation method has characteristics of simple operation, wide raw material source and mild reaction condition, and meets the industrial production, the prepared triester citrate containing isocyanurate has a good plasticizing effect and excellent thermal stability, low-temperature flexibility, solvent extraction resistance, migration resistance and flame retardance, and can be widely applied to plastic rubber plasticizers.
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Paragraph 0056; 0059
(2021/05/15)
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- Citrate plasticizer and preparation method thereof
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The invention discloses a citrate plasticizer and a preparation method thereof. The preparation method comprises the following steps: firstly, carrying out reaction on citric acid and alcohol to prepare citric acid triester; acylating dianhydride to prepare carboxyl-containing triester citrate; carrying out acylating chlorination on the carboxyl-containing triester citrate, and then carrying out esterification reaction on the carboxyl-containing triester citrate and tri(2-hydroxyethyl) isocyanurate to prepare triester citrate containing isocyanurate; and finally, esterifying with fatty acyl chloride to obtain the modified citrate plasticizer. The preparation method is simple to operate, wide in raw material source and mild in reaction condition, and meets industrial production. The prepared triester citrate containing isocyanurate has a good plasticizing effect and excellent thermal stability, low-temperature flexibility, solvent extraction resistance, migration resistance and flame retardance, and can be widely applied to plastic rubber plasticizers.
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Paragraph 0059; 0062
(2021/05/29)
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- Succinylcholine chloride preparation method
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The invention relates to a succinylcholine chloride preparation method, and specifically discloses a synthetic method for preparing succinylcholine chloride by using succinic acid as a starting raw material through a chlorination reaction and an esterification reaction. According to the invention, the method has advantages of safe production, low production cost, high reaction efficiency and simple product purification, and is suitable for mass production of bulk drugs.
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Paragraph 0056-0062
(2020/02/29)
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- Refining method of succinylcholine chloride
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The invention discloses a refining method of succinylcholine chloride. A crude product of succinylcholine chloride is added into a polar aprotic solvent and recrystallized to obtain a refined productof succinylcholine chloride, and related substances of the product meet USP pharmacopoeia standards. The invention provides a refining method of succinylcholine chloride with simple process, convenient operation, low production cost, high product purity, stable process and suitability for industrial production, and also provides a raw material or bulk drug of high-purity succinylcholine chloride.
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Paragraph 0040-0041
(2020/02/14)
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- ALK-targeted PROTAC and application thereof
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The invention relates to ALK-targeted PROTAC and application thereof, and belongs to the technical field of anti-tumor drugs. The invention aims to provide an ALK-targeted PROTAC molecule. The PROTACmolecule has the structural formula which is shown in a formula I. A ligand pomalidomide of CRBN and a derivative of pomalidomide are adopted as a ligand of an E3 ligase, and coupling of an ALK inhibitor LDK378 with the E3 ligase is achieved through linkers of different types and different chain lengths so as to prepare the ALK-targeted PROTAC molecule successfully; through the ALK-targeted PROTACmolecule, target proteins can be targeted effectively, the content of ALK in cells is reduced, and meanwhile, the ALK-targeted PROTAC is characteristics of good anti-tumor activity in vitro and in vivo, low toxicity to normal cells and high efficiency and low toxicity.
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Paragraph 0043-0049
(2020/02/08)
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- Preparation method of amber amide derivative (by machine translation)
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The method comprises, by adding, reactant: to the solvent, and adding the succinic acid, reactant, first to the solvent at low temperature to obtain the target compound; through the ethanol crystallization second after the solvent concentration is complete and, DEG C, and the method ; 2nd. The method comprises the following steps of: refining the solvent, and adding the succinic amide derivative to complete the ;reactant after the reaction is complete . The method comprises the following steps: the method is simple, yield high. (by machine translation)
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Paragraph 0088-0090; 0094-0095
(2020/05/30)
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- Oligothienyl catenated germanes and silanes: Synthesis, structure, and properties
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The synthesis of two new groups of oligothienyl catenated silanes and germanes, Me5M2Thn (1a-b), Me5M2ThnM2Me5 (2a-c) (terminal), and ThnM2Me4Thn (3a-d) (internal) (M = Si, Ge; n = 2, 3; Th = 2- or 2,5-thienyl), is reported. The study of their structural parameters as well as of their spectral (NMR), electrochemical (CV) and optical (UV/vis absorbance, luminescence) properties has been performed in detail; in addition, the unexpected compound [Th2Si2Me4Th]2 (3a′) is also studied. Theoretical investigations have been performed for model compounds in order to establish structure-property relationships. The molecular structures of 2a (Me5Si2Th2Si2Me5), 2b (Me5Ge2Th2Ge2Me5), 3a (Th2Si2Me4Th2) and 3b (Th2Ge2Me4Th2) have been investigated by X-ray diffraction analysis. An effective conjugation with flattening of both Th planes in terminal 2a and 2b was observed. The main trends in the dependence of the optical and electrochemical properties on the structural parameters have been established. All of the compounds studied exhibit a strong emission within the 378-563 nm range, and the maximal quantum yield (up to 77%) is observed for the Si derivative 3a′. For the majority of the compounds, the quantum yields (20-30%) are significantly larger than for 2,2′-bi- and 2,2′:5′,5′′-terthiophenes. Due to their good emission properties, these compounds could be used to develop new materials with specific spectral properties.
- Zaitsev, Kirill V.,Lam, Kevin,Poleshchuk, Oleg Kh.,Kuz'Mina, Lyudmila G.,Churakov, Andrei V.
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supporting information
p. 5431 - 5444
(2018/04/23)
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- COMPOUNDS, COMPOSITONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS
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The present disclosure is in the field of polymers and pharmaceuticals/antimicrobials. The disclosure provides compounds based on SNAP (synthetic novel antimicrobial polymer) technology, compositions and methods of managing microbial infections including surgical site infections (SSIs). The present compounds are used as a management/therapeutic strategy to target microbial infections and have advantages including excellent antimicrobial potency, biofilm disruption ability, broad spectrum activity against various organisms covering both gram negative and gram positive bacteria as well as fungal pathogens, and low toxicity profile to ensure a healthy therapeutic window for use in humans.
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Page/Page column 104; 105
(2018/03/25)
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- Symmetric dimeric adamantanes for exploring the structure of two viroporins: Influenza virus M2 and hepatitis C virus p7
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Background: Adamantane-based compounds have been identified to interfere with the ion-channel activity of viroporins and thereby inhibit viral infection. To better understand the difference in the inhibition mechanism of viroporins, we synthesized symmetric dimeric adamantane analogs of various alkyl-spacer lengths. Methods: Symmetric dimeric adamantane derivatives were synthesized where two amantadine or rimantadine molecules were linked by various alkyl-spacers. The inhibitory activity of the compounds was studied on two viroporins: the influenza virus M2 protein, expressed in Xenopus oocytes, using the two-electrode voltage-clamp technique, and the hepatitis C virus (HCV) p7 channels for five different genotypes (1a, 1b, 2a, 3a, and 4a) expressed in HEK293 cells using whole-cell patch-clamp recording techniques. Results: Upon testing on M2 protein, dimeric compounds showed significantly lower inhibitory activity relative to the monomeric amantadine. The lack of channel blockage of the dimeric amantadine and rimantadine analogs against M2 wild type and M2-S31N mutant was consistent with previously proposed drug-binding mechanisms and further confirmed that the pore-binding model is the pharmacologically relevant drug-binding model. On the other hand, these dimers showed similar potency to their respective monomeric analogs when tested on p7 protein in HCV genotypes 1a, 1b, and 4a while being 700-fold and 150-fold more potent than amantadine in genotypes 2a and 3a, respectively. An amino group appears to be important for inhibiting the ion-channel activity of p7 protein in genotype 2a, while its importance was minimal in all other genotypes. Conclusion: Symmetric dimeric adamantanes can be considered a prospective class of p7 inhibitors that are able to address the differences in adamantane sensitivity among the various genotypes of HCV.
- Mandour, Yasmine M.,Breitinger, Ulrike,Ma, Chunlong,Wang, Jun,Boeckler, Frank M.,Breitinger, Hans-Georg,Zlotos, Darius P.
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p. 1019 - 1031
(2018/05/22)
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- Synthesis and characterization of ferrocenyl esters: Their anti-oxidant activity and DNA-binding ability
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In continuation to our work on biologically active material, some new ferrocenyl esters were prepared by condensation of 4-ferrocenyl phenol (ROH) with ferrocenyl dicarboxylic acid chlorides (DCC) at low temperature. The synthesized compounds (E1-E9) were characterized by analyzing their physical properties, FT-IR, 1H-NMR, UV-visible spectroscopic and cyclic voltammetric studies. The DPPH free radical scavenging assay was performed to explore their potential as antioxidant which showed that the E1 had maximum scavenging ability (77.11%) whereas E3 showed minimum (52%) compared with the standard. Cyclic voltammetric studies indicated that these compounds were electroactive in potential window of 2.0-0.0V. Binding mode found in these esters was an electrostatic interaction which is considered as strongest amongst all. Therefore, these compounds are considered to have DNA-binding capability and are potential DNA binders.
- Bukhari, Syeda Anam,Gul, Asghari,Akhter, Zareen,Bashir, Amna
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p. 375 - 382
(2018/06/06)
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- Structure-based virtual screening and optimization of modulators targeting Hsp90-Cdc37 interaction
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Identification of novel Hsp90 inhibitors to disrupt Hsp90-Cdc37 protein-protein interaction (PPI) could be an alternative strategy to achieve Hsp90 inhibition. In this paper, a series of small molecules targeting Hsp90-Cdc37 complex are addressed and characterized. The molecules' key characters are determined by utilizing a structure-based virtual screening workflow, derivatives synthesis, and biological evaluation. Structural optimization and structure–activity relationship (SAR) analysis were then carried out on the virtual hit of VS-8 with potent activity, which resulted in the discovery of compound 10 as a more potent regulator of Hsp90-Cdc37 interaction with a promising inhibitory effect (IC50?=?27?μM), a moderate binding capacity (KD?=?40?μM) and a preferable antiproliferative activity against several cancer lines including MCF-7, SKBR3 and A549?cell lines (IC50?=?26?μM, 15?μM and 38?μM respectively). All the data suggest that compound 10 exhibits moderate inhibitory effect on Hsp90-Cdc37 and could be regard as a first evidence of a non-natural compound targeting Hsp90-Cdc37 PPI.
- Wang, Lei,Li, Li,Zhou, Zi-Han,Jiang, Zheng-Yu,You, Qi-Dong,Xu, Xiao-Li
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- Identification and Structure-Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coli
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In Gram-negative bacteria, efflux pumps are able to prevent effective cellular concentrations from being achieved for a number of antibiotics. Small molecule adjuvants that act as efflux pump inhibitors (EPIs) have the potential to reinvigorate existing antibiotics that are currently ineffective due to efflux mechanisms. Through a combination of rigorous experimental screening and in silico virtual screening, we recently identified novel classes of EPIs that interact with the membrane fusion protein AcrA, a critical component of the AcrAB-TolC efflux pump in Escherichia coli. Herein, we present initial optimization efforts and structure-activity relationships around one of those previously described hits, NSC 60339 (1). From these efforts we identified two compounds, SLUPP-225 (17h) and SLUPP-417 (17o), which demonstrate favorable properties as potential EPIs in E. coli cells including the ability to penetrate the outer membrane, improved inhibition of efflux relative to 1, and potentiation of the activity of novobiocin and erythromycin.
- Haynes, Keith M.,Abdali, Narges,Jhawar, Varsha,Zgurskaya, Helen I.,Parks, Jerry M.,Green, Adam T.,Baudry, Jerome,Rybenkov, Valentin V.,Smith, Jeremy C.,Walker, John K.
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p. 6205 - 6219
(2017/08/02)
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- Aromatic Esters, Carbinols, and Derivatives Thereof with Perfluorohexyl Residues as Alternatives to Perfluoroalkanecarboxylic and -sulfonic Acids
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Four perfluorohexyl carbinols have been prepared from the corresponding Grignard reagent and benzaldehyde, terephthalaldehyde, isophthalaldehyde, and trimesaldehyde. The corresponding secondary alcohols were then transformed by alkylation and acylation reactions to form a total of 14 ethers (methyl, ethyl, propyl, and n-hexyl ethers) and esters (acetyl and 2-ethylhexanoyl), respectively. Furthermore, 11 perfluoroalkyl carboxylates were prepared from aromatic, heteroaromatic, and aliphatic mono-, di-, tri-, and tetracarboxylic acids and tridecafluorooctanol. The wettability of all 29 materials was investigated by the water contact angle measurements of thin films on glass surfaces. In up to six cases, contact angles greater than 130° were observed, which indicates that the products might be suitable candidates for the impregnation of surfaces. With their relatively short perfluoroalkyl side-chains and therefore low bioaccumulativity, the target compounds might be beneficial alternatives to established products.
- Alpers, Torben,Muesmann, Thomas W. T.,Temme, Oliver,Christoffers, Jens
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p. 609 - 617
(2017/02/05)
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- Preparation method of acyl chloride
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The invention relates to a preparation method of acyl chloride. The method comprises the following steps that 1, carboxylic acid is added into a reactor, or carboxylic acid is dissolved in organic solvent, a device is connected, and the temperature is raised to 100 DGE C-250 DEG C; 2, phosgene is introduced into the reactor for a reaction, and then the temperature is decreased to room temperature; 3, nitrogen is introduced, residual phosgene and hydrogen chloride are cleaned away, reaction liquid which is reacted without solvent is subjected to decompression distillation and purification directly, and needed acyl chloride is obtained; reaction liquid which is reacted with the solvent is subjected to decompression distillation to remove the solvent, and needed acyl chloride is obtained. According to the preparation method of acyl chloride, no catalyst is added, the risks that in the synthesizing process, due to the fact that the catalyst is dissolved, color of the finial product of acyl chloride is increased, and the catalyst is remained in late products are avoided, after the reaction is finished, high-quality acyl chloride can be obtained through decompression distillation, and the technological process is simple; due to the fact that in the whole technological process, except for absorbable and available phosgene, hydrogen chloride and carbon dioxide, no other three waste is discharged, the preparation method of acyl chloride is environmentally friendly, and the good implement value is achieved.
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Paragraph 0050; 0051
(2016/11/28)
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- Investigation of novel ropinirole analogues: Synthesis, pharmacological evaluation and computational analysis of dopamine D2 receptor functionalized congeners and homobivalent ligands
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Herein, we report the development of novel functionalized congeners of ropinirole toward the design of pharmacological tools to probe structural requirements at the dopamine D2 receptor. Subsequently, we have used the functionalized amine congener 11 and synthesized and pharmacologically evaluated a series of homobivalent ligands of ropinirole with designated spacer lengths ranging from 14 to 30 atoms. The most potent homobivalent ligands (22-, 26- and 30-atom spacers) showed approximately 20- to 80-fold greater potency (EC50 = 3.9, 6.2 and 14 nM, respectively) than ropinirole (304 nM) in a [35S]GTPγS functional assay. Molecular modeling studies suggest that the observed increase in potency of the homobivalent ligands is possibly due to a bitopic binding mode involving the orthosteric site and an allosteric interaction at the dopamine D2 receptor protomer rather than bridging interactions at two orthosteric sites across a dopamine D 2 receptor dimer. This research has the potential to advance the development of structurally related bitopic ligands, biomarkers such as radioligands and fluorescently labeled probes, and furnish new homo- and heterobivalent ligands towards a better understanding of the dopamine D 2 receptor and potential novel treatment for Parkinson's disease.
- J?rg, Manuela,Kaczor, Agnieszka A.,Mak, Frankie S.,Lee, Kiew Ching K.,Poso, Antti,Miller, Neil D.,Scammells, Peter J.,Capuano, Ben
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supporting information
p. 891 - 898
(2014/07/08)
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- Synthesis and binding profile of haloperidol-based bivalent ligands targeting dopamine D2-like receptors
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Homodimers of dopamine D2-like receptors are suggested to be of particular importance in the pathophysiology of schizophrenia and, thus, serve as promising targets for the discovery of atypical antipsychotics. This study describes the development of a series of novel bivalent molecules with a pharmacophore derived from the dopamine receptor antagonist haloperidol. These dimers were investigated in comparison to their monomeric analogues for their D2long, D2short, D3, and D4 receptor binding and the ability to bridge two neighboring receptor protomers. Radioligand binding studies provided diagnostic insights when Hill slopes close to two for the bivalent ligand 13 incorporating 22 spacer atoms and a comparative analysis with monovalent control ligands indicated a bivalent binding mode with a simultaneous occupancy of two neighboring binding sites.
- Salama, Ismail,L?ber, Stefan,Hübner, Harald,Gmeiner, Peter
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supporting information
p. 3753 - 3756
(2014/09/16)
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- Anion recognition by N,N′-diarylalkanediamides
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The preparation of N,N′-diarylalkanediamides from the respective aliphatic dicarboxylic acids and 4-nitroaniline via microwave-prompted reactions is presented. The most positive effect of microwave irradiation was observed for N,N′-bis(4-nitrophenyl)butanediamide. Anion binding studies on the obtained diamides were carried out in DMSO and acetonitrile using UV-vis and 1H NMR spectroscopy. A mechanism for selective fluoride recognition by N,N′-bis(4-nitrophenyl)butanediamide in DMSO is proposed.
- Wagner-Wysiecka, Ewa,Lukasik, Natalia
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supporting information
p. 6029 - 6034,6
(2020/08/20)
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- PRODUCT CONTAINING DIAMIDES, METHOD FOR MAKING SAME AND USES THEREOF
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The product comprises at least two diamide compounds selected from the diamide compounds of following formulae (Ia), (Ib), and (Ic): [in-line-formulae]R2R3NOC-Aa-CONR4R5??(Ia)[/in-line-formulae] [in-line-formulae]R2R3NOC-Ab-CONR4R5??(Ib)[/in-line-formulae] [in-line-formulae]R2R3NOC-Ac-CONR4R5??(Ic)[/in-line-formulae] wherein: R2, R3, R4, and R5, either identical or different, are groups selected from saturated or unsaturated, linear or branched, optionally cyclic, optionally aromatic, optionally substituted, hydrocarbon groups comprising an average number of carbon atoms ranging from 1 to 36, R2 and R3 on the one hand and R4 and R5 on the other hand may optionally form together a ring, optionally substituted and/or optionally comprising a heteroatom, andAa, Ab, and Ac are linear divalent alkyl groups, each comprising a different number of carbon atoms.
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Page/Page column 7
(2012/02/06)
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- Single-pot conversion of an acid to the corresponding 4-chlorobutyl ester
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A single pot conversion of carboxylic acids into the corresponding 4-chlorobutyl esters has been achieved by a novel procedure. The intermediate acid chlorides are not isolated. The double bond and aromatic methoxy group survive the mild reaction conditions. In almost all the examples studied the products are purified by simple flash chromatography.
- Pal, Sutanuka,Pal, Sudhir Chandra
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experimental part
p. 596 - 599
(2012/04/18)
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- Bis[3,5-bis(benzylidene)-4-oxo-1-piperidinyl]amides: A Novel Class of Potent Cytotoxins
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The principal objective of this study was the examination of the theory of cytotoxic synergism. In this exploratory study, we tested the hypothesis that doubling the number of sites available for thiol alkylation in a series of candidate cytotoxins increases potency more than two-fold. This concept was verified in one-third of our comparisons using human Molt 4/C8 and CEM T-lymphocytes and murine L1210 cells. In addition, the significant potencies of various members of our compound series justified further studies. Molecular modeling revealed that relative locations of the amidic groups correlate with cytotoxicity. A potent cytotoxic compound, 1,2-bis(3,5-dibenzylidene-4-oxo-piperidin-1-yl)ethane-1,2-dione (1a) inhibited the growth of a large number of human tumor cell lines and displayed greater toxicity toward certain non-adherent cells than toward adherent neoplasms or fibroblasts. The mode of action of 1a includes induction of apoptosis and necrosis.
- Das, Swagatika,Das, Umashankar,Varela-Ramirez, Armando,Lema, Carolina,Aguilera, Renato J.,Balzarini, Jan,DeClercq, Erik,Dimmock, Stephen G.,Gorecki, Dennis K. J.,Dimmock, Jonathan R.
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experimental part
p. 1892 - 1899
(2012/07/03)
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- Synthesis and spectroelectrochemical properties of two new dithienylpyrroles bearing anthraquinone units and their polymer films
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Two new kinds of dithienylpyrroles bearing anthraquinone units have been prepared by the Knorr-Paal condensation between 1,4-di(thiophen-2-yl)butane-1,4- dione and 1-/2-amino-anthraquinone. The corresponding polymer films were successfully synthesized via electropolymerization. The electrochemical, electro-optical properties and electrochromic behavior of the two polymer films were further investigated by thermogravimetric analysis, cyclic voltammetry and UV-vis absorption spectra. The results demonstrated that the two polymer films were thermally stable up to nearly 300°C. Both the two electroactive polymer films presented a stable and well-defined reversible redox process as well as multicolor electrochromic change from yellow (in the reduced state) to grey (in the neutral state) and then to blue (in the oxidized state).
- Wang, Gang,Fu, Xiangkai,Huang, Jing,Wu, Liu,Du, Qiuliang
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scheme or table
p. 6933 - 6940
(2011/01/11)
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- PROCESS FOR PRODUCING CARBOXYLIC ACID CHLORIDE
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This invention relates to a method for producing a carboxylic acid chloride, which efficiently decomposes a Vilsmeier reagent type compound in a carboxylic acid chloride lacking a thermal stability or a carboxylic acid chloride hardly distilled in practice due to a high boiling point with a simple operation and has no adverse effect on a subsequent step, and more particularly to a method for producing a carboxylic acid chloride, characterized by comprising reacting a carboxylic acid with a chlorinating agent in the presence of a catalyst, removing the excessive chlorinating agent from a reaction system after the reaction, and then further adding 1.0 to 3.0 equivalents of the starting carboxylic acid based on the catalyst to the reaction system to decompose a Vilsmeier reagent type compound remaining in the reaction system.
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Page/Page column 5
(2009/12/23)
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- Studies on synthesis and plant growth retardant activity of cyclic bis-quaternary salts of ammonia from phthalic acid using conventional and microwave methods
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Phthalic acid 1 has been converted to bis (oxiran-2-ylmethyl) phthalatc 2 followed by ring opening to di-tcrliary amines viz: bis (3-[dicthylamino)-2- hydroxypropyl] phthalate 3 and bis [2-hydroxy-3-[pipcridin-l-yl) propyl] phthalate 4. Conversion is carried through conventional as well as non-conventional methods (microwave irradiation on solid support). Di-tertiary amines 3 and 4 have been qualcmizcd to give cyclic bis-quaternary ammonium salts 3a-c and 4a, b which in turn are tested for their efficacy as plant growth regulators on rice (Oryza sativa). All the tested compounds are found to be good plant growth retardants. Compound 4c is found to be the best plant growth retardant among the six newly synthesized compounds.
- Bangar, Jyoti,Sharma
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experimental part
p. 1299 - 1306
(2010/02/27)
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- Stereoselective total synthesis of furofuran lignans through dianion aldol condensation
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Highly stereoselective total synthesis of (+)-eudesmin, (+)-yangambin, (-)-eudesmin, and (-)-yangambin is described. This method is useful to generate the core skeleton of furofuran rings utilizing modification of Evans asymmetric aldol condensation.
- Jung, Jae-Chul,Kim, Ju-Cheun,Moon, Hyung-In,Park, Oee-Sook
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p. 6433 - 6437
(2007/10/03)
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- Esters derived from vanillin and vanillal and aromatic and functionalized aliphatic carboxylic acids
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Reactions of vanillin and vanillal with aromatic and functionally substituted aliphatic carboxylic acid chlorides in the presence of pyridine afforded the corresponding previously unknown esters.
- Dikusar,Kozlov
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p. 992 - 996
(2007/10/03)
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- Synthesis and characteriation of novel poly (ester amide)s containing benzthiazole heterocyclic ring
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The novel Poly (ester-amide)s (PEAs) were prepared by inrter-facial polycondensation of 5 - hydroxy - 2 - amino benzthiazole with various di-basic acid chlorides. The PEAs were characterized by elements analysis, IR spectra studies, Mn estimated by non aqueous conductometric titration and thermogravimetry. The electric conductivity of all the poly (ester amide)s PEAs was also measured at room temperature and it was found that the PEAs have semiconducting properties.
- Patel,Desai,Patel
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p. 203 - 208
(2007/10/03)
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- Synthesis and Structure-Activity Relationship of Di-(3,8-diazabicyclo[3.2.1]octane) Diquaternary Ammonium Salts as Unique Analgesics
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Based on the structure characteristics of the lead compounds, 1,1′2-octanedioyl-4,4′-dimethyl-4,4′-dibenzyl dipiperazinium dibromide (2) and 3,8-disubstituted-3,8-diazabicyclo[3.2.1]octanes (DBO), di-(3,8-diazabicyclo[3.2.1]octane) diquaternary ammonium salts 3 a-c were designed and synthesized through a highly practical procedure. Target compounds 3 a-c and the hydrochloride salts of their precursors 10 a-c were evaluated for their in vivo analgesic and sedative activities. Interestingly, the introduction of an endoethylenic bridge in the piperazine of lead compound 2 causes loss of the analgesic activity and increases the toxicity dramatically. This result shows that the flexible conformation of piperazine in compound 2 is favorable for interaction with the receptor, and the quaternization of compounds 10 a-c is the main reason for the toxicity increase.
- Liu, Hong,Cheng, Tie-Ming,Zhang, Hong-Mei,Li, Run-Tao
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p. 510 - 513
(2007/10/03)
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- COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE
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Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs and pharmaceutically acceptable esters, their synthesis, pharmaceutical compositions containing them, and their use in the treatment of amyloid diseases, especially A? amyloidosis, such as observed in Alzheimer's disease, IAPP amyloidosis, such as observed in type 2 diabetes, and synucleinophathies, such as observed in Parkinson's disease, and the manufacture of medicaments for such treatment.
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- Copper(I)-catalyzed [2 + 2] photocycloadditions with tethered linkers: Synthesis of syn-photodimers of dicyclopentadienes
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Cu(I)-catalyzed intramolecular photocycloadditions of diesters made of endo-dicyclopentadiene derivatives linked by the ester bonds with tethers are highly regio- and stereoselective and complete within hours, and the tethers can be easily cleaved afterward upon reduction with LiAlH4. Irradiation of the diesters afforded a 1:1 mixture of the heretofore unknown exo-cis-exo dimer, originating from the (R,S/S,R) diastereomer of the diester and the exo-trans-exo, deriving frond the (R,R/S,S) diastereomer. The intermolecular photodimerization yielded, instead, only exo-transexo isomers and side products after irradiation for several days. The role of the tether's length and structure on the course of the photocycloadditions was investigated, and it was observed that short tethers introduce considerable strain in the products' framework. Adamantyl-containing tethers the shortest reaction times and highest yields. X-ray diffraction analysis of an exo-cis-exo provided stereoisomer containing adamantane in the tether exhibited an unusually close approach between H atoms on the methylene bridges and a long C-C distance in the cyclobutane ring. A rearrangement induced by X-ray irradiation was observed in this molecule.
- Galoppini,Chebolu,Gilardi,Zhang
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p. 162 - 168
(2007/10/03)
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- Synthesis of N,N′-diarylalkanediamides and their antimycobacterial and antialgal activity
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A set of N,N′-diarylalkanediamides was synthesized. The compounds were tested for their antimycobacterial and antialgal activity. The antimycobacterial activity of N,N′-diarylalkanediamides depends on the lipophilicity of the respective acid. Antimycobacteri-ally active substances were found only in the series of N,N′-diarylethanediamides and N,N′-diarylbutanediamides. Other compounds (derivatives of pentane-, hexane-, octane- and nonanediamide) were inactive against various strains of mycobacteria. The compounds inhibited growth and chlorophyll production in Chlorella vulgaris. Their relatively low antial-gal activity is probably connected with their lowered aqueous solubility, and hence by a restricted passage of the inhibitor through the hydrophilic regions of thylakoid membranes.
- Kubicova, Lenka,Waisser, Karel,Kunes, Jiri,Kralova, Katarina,Odlerova, Zelmira,Slosarek, Milan,Janota, Jiri,Svoboda, Zbynek
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p. 714 - 726
(2007/10/03)
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- Preparation process of acyl halide or sulfonyl halide
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A preparation process of acyl halide or sulfonyl halide which comprises reacting corresponding carboxylic acid or sulfonic acid with a haloiminium salt represented by the general formula (1): STR1 wherein R1 and R2 are same or different lower alkyl groups, X is a halogen atom, and n is an integer of 2 or 3.
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- INTRAMOLECULAR END-TO-END REACTIONS OF PHOTOACTIVE TERMINAL GROUPS LINKED BY POLYMETHYLENE CHAINS.
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Intramolecular end-to-end reactions of a pair of photoactive terminal groups, dibenz left bracket b,f right bracket azepine (DBA) chromophores, linked by a series of polymethylene chains (DBA-CO(CH//2)//nCO-DBA, n equals 2-30) were studied by two different approaches. One approach is to measure the intramolecular deactivation rate constants of the excited triplet state of terminal DBA groups by the nanosecond laser photolysis and the other is to measure the intramolecular photocyclization rates of these bichromophoric compounds by the quantitative product analysis with GPC. The excited triplet state of the DBA group is the intermediate of the reaction.
- Ashikaga,Ito,Yamamoto,Nishijima
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p. 198 - 204
(2007/10/02)
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- Optical brightening agents of naphthalimide derivatives
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A naphthalimide derivative having the formula STR1 wherein R is an alkyl, or cycloalkyl, an aralkyl, a haloalkyl, an alkoxyalkyl, a hydroxyalkyl, an N,N-dialkylaminoalkyl, an unsubstituted or halogen-, alkyl-, alkoxy- or hydroxy-substituted aryl, or an ammoniumalkyl; X is a group of the formula, STR2 wherein A is STR3 or an unsubstituted or halogen-substituted arylene, or a group of the formula, STR4 wherein R1 is hydrogen, an alkyl, phenyl, a hydroxyalkyl, or an alkoxyalkyl; Y is --CO--, --COO--, --CONR3 -- (where R3 is hydrogen or an alkyl), or --SO2 --; R2 is hydrogen, an alkyl, a cycloalkyl, an aralkyl, a haloalkyl, an alkyl- or aryl-substituted amino-alkyl, an unsubstituted or halogen-, alkyl-, alkoxy-, hydroxy-, amino- or alkylamino-substituted aryl, a group of the formula, STR5 (where R, R1 and Y are as defined above and R4 is a bivalent group), or a group of the formula, (where R5 is direct linkage or a bivalent group; Q+ is a substituted ammonium, a cycloammonium or a hydrazinium; and α- is an anion), Which is useful for optically brightening an organic polymer material.
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- Organic compositions
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Cyclopropyl substituted esters, syntheses thereof, compositions thereof, and use for the control of mites and ticks.
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