31719-76-3Relevant academic research and scientific papers
Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors
Dias, Marcio Vinícius Bertacine,Ferreira, Glaucio Monteiro,Kronenberger, Thales,Parise-Filho, Roberto,Pavan, Fernando Rogério,Poso, Antti,Ribeiro, Jo?o Augusto,Tavares, Maurício Temotheo,Trossini, Gustavo Henrique Goulart,da Silva Santos, Soraya,de Souza, Alfredo Danilo Ferreira
, (2020/07/03)
The enzyme dihydrofolate reductase from M. tuberculosis (MtDHFR) has a high unexploited potential to be a target for new drugs against tuberculosis (TB), due to its importance for pathogen survival. Preliminary studies have obtained fragment-like molecule
Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype
Heitel, Pascal,Gellrich, Leonie,Kalinowsky, Lena,Heering, Jan,Kaiser, Astrid,Ohrndorf, Julia,Proschak, Ewgenij,Merk, Daniel
, p. 203 - 208 (2019/01/25)
As universal heterodimer partners of many nuclear receptors, the retinoid X receptors (RXRs) constitute key transcription factors. They regulate cell proliferation, differentiation, inflammation, and metabolic homeostasis and have recently been proposed as potential drug targets for neurodegenerative and inflammatory diseases. Owing to the hydrophobic nature of RXR ligand binding sites, available synthetic RXR ligands are lipophilic, and their structural diversity is limited. Here, we disclose the computer-assisted discovery of a novel RXR agonist chemotype and its systematic optimization toward potent RXR modulators. We have developed a nanomolar RXR agonist with high selectivity among nuclear receptors and superior physicochemical properties compared to classical rexinoids that appears suitable for in vivo applications and as lead for future RXR-targeting medicinal chemistry.
Metal-Free I2-Catalyzed Highly Selective Dehydrogenative Coupling of Alcohols and Cyclohexenones
Liang, Yu-Feng,Yuan, Yizhi,Shen, Tao,Song, Song,Jiao, Ning
, p. 233 - 240 (2018/02/19)
The I2 catalyzed highly selective oxidative condensation of cyclohexenones and alcohols for the synthesis of aryl alkyl ethers has been described. DMSO is employed as the mild terminal oxidant. This novel methodology offers a metal-free reaction condition, operational simplicity and broad substrate scope to afford valuable products from inexpensive reagents. Various meta-substituted aromatic ethers which are hardly synthesized from the reported methods requiring meta-substituted phenols, are efficiently prepared by the present protocol.
Design, synthesis and biological evaluation of novel hydroxamates and 2-aminobenzamides as potent histone deacetylase inhibitors and antitumor agents
Xie, Rui,Yao, Yue,Tang, Pingwah,Chen, Guangyao,Liu, Xia,Yun, Fan,Cheng, Chunhui,Wu, Xinying,Yuan, Qipeng
, p. 1 - 12 (2017/04/11)
Many studies have indicated that histone deacetylase (HDAC) inhibitors are promising agents for the treatment of cancer. With the aim to search for novel potent HDAC inhibitors, we designed and synthesized two series of hydroxamates and 2-aminobenzamides
Benzamide compound and application thereof in preparation of medicines for inhibiting cancer cell proliferation and/or treating cancer
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Paragraph 0034, (2017/08/25)
The invention discloses a benzamide compound and an application thereof in preparation of medicines for inhibiting cancer cell proliferation and/or treating cancer. The compound has an ability to inhibit the cancer cell proliferation, and the purpose of cancer treatment is achieved. In particular, the compound has excellent cancer cell proliferation inhibiting activity on inhibiting human lung cancer cells A549, human gastric cancer cells MGC80-3, human hepatoma cells HepG2 and human colon cancer cells HCT116. The compound has the following structure described in the specification, wherein R1 is hydrogen, fluorine, chlorine, bromine, iodine, alkyl, alkoxy, alkyl carbonyl, alkoxy carbonyl, alkyl amide, nitro, cyano, aryl or heteroaryl, and R2 is hydrogen, fluorine, chlorine, bromine, iodine, alkyl, alkoxy, alkyl carbonyl, alkoxy carbonyl, alkyl amide, nitro, cyano, aryl or heteroaryl.
Synthesis and evaluation of phenoxymethylbenzamide analogues as anti-trypanosomal agents
Manos-Turvey, Alexandra,Watson, Emma E.,Sykes, Melissa L.,Jones, Amy J.,Baell, Jonathan B.,Kaiser, Marcel,Avery, Vicky M.,Payne, Richard J.
supporting information, p. 403 - 406 (2015/03/18)
The synthesis and anti-trypanosomal activity of a compound library based on a phenoxymethylbenzamide hit discovered in a high throughput screen is described. Several of the analogues exhibited potent activity against Trypanosoma brucei rhodesiense, a human infective strain of the trypanosome parasite, that serve as lead compounds for further optimisation. This journal is
Modulators of methyl modifying enzymes, compositions and uses thereof
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Page/Page column 116; 117, (2015/12/26)
Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein.
2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE
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Page/Page column 50; 51, (2014/09/03)
Substituted benzimidazole and 3H-imidazo[4,5-b]pyridines or formula I: where X and Y respectively are selected from: (i) N and N; and (ii) N and CR4; A2 is selected from:, a C5 heteroarylene group, containing 2 or 3 ring heteroatoms, where the bonds to L1 and the core are β to one another; L1 is selected from: (i)A1-O-CH2-A2; (ii)A1-CH2-O-A2; (iii)A1-C(=O)-NH-A2; (iv)A1-CH(OH)-A2; (v)A1-CH2-NH-C(=O)-A2; (vi) A1-S-CH2-A2; (vii)A1- CH2-S-A2; (viii)A1-CH2-A2; and (ix)A1-CH(CH3)-O-A2; A1 is phenyl, optionally substituted by F or CF3; their use as pharmaceuticals, and in particular, in treating cancer and hemoglobinopathies.
MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF
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Paragraph 00206; 00208, (2013/06/05)
Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein
METHOD OF REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED BENZOATES
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Page/Page column 11; 12; 18; 19; 20, (2013/03/26)
A method of synthesis of para-substituted benzoate esters and acids is provided, wherein the para-substituted regioisomer is obtained substantially free of the meta-substituted impurity, the method comprising contacting a coumalate ester or acid and an un activated alkene at elevated temperature in the presence of a metal oxidation catalyst and an oxidant. The metal oxidation catalyst can be palladium, such as palladium on carbon, and the oxidant can be the oxygen gas in ambient air. The reaction can be carlied out without solvent or in high boiling hydrocarbon solvents such as mesitylene. When the un activated alkene is a monosubstituted alkene, yields of at least about 50 or 60% of para-substituted ester and acid products, respectively, are obtained, substantially free of the regioisomelic meta-substituted impurity.
