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Discovery and SAR study of 3-(tert-butyl)-4-hydroxyphenyl benzoate and benzamide derivatives as novel farnesoid X receptor (FXR) antagonists

文献类型：期刊论文

作者Song, Kebiao1; Xu, Xing2,3; Liu, Peng1; Chen, Lili3; Shen, Xu3; Liu, Junhua3; Hu, Lihong1,3
刊名BIOORGANIC & MEDICINAL CHEMISTRY
出版日期2015-10-01
卷号23期号:19页码:6427-6436
关键词FXR FXR antagonist SAR study Non-steroidal
ISSN号0968-0896
DOI10.1016/j.bmc.2015.08.021
文献子类Article
英文摘要3-(tert-Butyl)-4-hydroxyphenyl 2,4-dichlorobenzoate (1) was discovered in our in-house high throughput screening as a moderate FXR antagonist. To improve the potency and the stability of the hit 1, forty derivatives were synthesized and SAR was systematically explored. The results turn out that replacing the 2,4-dichlorophenyl with 2,6-dichloro-4-amidophenyl shows great improvement in potency, replacing the benzoate with benzamide shows improvement in stability and slight declining of potency and 3-(tert-butyl)-4-hydroxyphenyl unit is essential in obtaining the FXR antagonistic activity. (C) 2015 Elsevier Ltd. All rights reserved.
WOS关键词ORPHAN NUCLEAR RECEPTOR ; BILE-ACID ; MARINE SPONGE ; CLINICAL-APPLICATIONS ; THEONELLA-SWINHOEI ; NATURAL PRODUCT ; METABOLISM ; IDENTIFICATION ; POTENT ; OPTIMIZATION
资助项目National Science Foundation of China[81273397] ; National Science Foundation of China[81473110] ; National Science Foundation of China[81402811] ; Chinese National Science & Technology Major Project 'Key New Drug Creation and Manufacturing Program'[2013ZX09508104] ; Chinese National Science & Technology Major Project 'Key New Drug Creation and Manufacturing Program'[2012ZX09103-101-018] ; Chinese National Science & Technology Major Project 'Key New Drug Creation and Manufacturing Program'[2014ZX09301-306-03] ; Science Foundation of Shanghai[12XD1405700] ; Fundamental Research Funds for the Central Universities[WY1114026] ; Chinese Postdoctoral Science Foundation[2014M550255]
WOS研究方向Biochemistry & Molecular Biology ; Pharmacology & Pharmacy ; Chemistry
语种英语
WOS记录号WOS:000361638400019
出版者PERGAMON-ELSEVIER SCIENCE LTD
源URL[http://119.78.100.183/handle/2S10ELR8/276390]  
专题上海中药现代化研究中心
通讯作者Liu, Junhua
作者单位1.E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai 200237, Peoples R China;
2.Shanghai Jiao Tong Univ, Shanghai Ruijin Hosp, Sch Med, Shanghai Inst Traumatol & Orthopaed,Shanghai Key, Shanghai 200025, Peoples R China
3.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai Res Ctr Modernizat Tradit Chinese Med, Shanghai 201203, Peoples R China;
推荐引用方式
GB/T 7714		 Song, Kebiao,Xu, Xing,Liu, Peng,et al. Discovery and SAR study of 3-(tert-butyl)-4-hydroxyphenyl benzoate and benzamide derivatives as novel farnesoid X receptor (FXR) antagonists[J]. BIOORGANIC & MEDICINAL CHEMISTRY,2015,23(19):6427-6436.
APA Song, Kebiao.,Xu, Xing.,Liu, Peng.,Chen, Lili.,Shen, Xu.,...&Hu, Lihong.(2015).Discovery and SAR study of 3-(tert-butyl)-4-hydroxyphenyl benzoate and benzamide derivatives as novel farnesoid X receptor (FXR) antagonists.BIOORGANIC & MEDICINAL CHEMISTRY,23(19),6427-6436.
MLA Song, Kebiao,et al."Discovery and SAR study of 3-(tert-butyl)-4-hydroxyphenyl benzoate and benzamide derivatives as novel farnesoid X receptor (FXR) antagonists".BIOORGANIC & MEDICINAL CHEMISTRY 23.19(2015):6427-6436.

入库方式： OAI收割

来源：上海药物研究所

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