Design, Synthesis and 3D-QSAR Study of 2-[N’-(2-Aryloxyethyl)-piperazinomethyl]-benzoxazole Series asα1-Adrenoceptor Antagonists

Acta Chimica Sinica ›› 2004, Vol. 62 ›› Issue (15): 1430-1436. Previous Articles Next Articles

芳氧烷基哌嗪苯并噁唑类α₁-受体拮抗剂的设计、合成及其3D-QSAR研究

吴斌¹, 李敏勇², 江振洲³, 夏霖²

1. 南京医科大学药学院, 南京, 210029;
2. 中国药科大学药物化学教研室, 南京, 210009;
3. 中国药科大学新中新药研究开发中心, 南京, 210038

投稿日期:2003-10-23 修回日期:2004-02-05 发布日期:2014-02-17
通讯作者: 吴斌,E-mail:jsnjcpuwubin@hotmail.com E-mail:jsnjcpuwubin@hotmail.com
基金资助:
国家科委863计划(No.2002AA2Z3118)资助项目.

Design, Synthesis and 3D-QSAR Study of 2-[N’-(2-Aryloxyethyl)-piperazinomethyl]-benzoxazole Series asα₁-Adrenoceptor Antagonists

WU Bin¹, LI Min-Yong², JIANG Zhen-Zhou³, XIA Lin²

1. School of Pharmacy, Nanjing Medical University, Nanjing 210029;
2. Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009;
3. Xinzhong New Drug Research and Development Center, China Pharmaceutical University, Nanjing 210038

Received:2003-10-23 Revised:2004-02-05 Published:2014-02-17

Abstract

Seventeen 2-[N'-(2-aryloxyethyl)piperazinomethyl]-benzoxazole derivatives have been designed and synthesized based on the structure and activity relationship (SAR) of α₁-adrenoceptor (α₁-AR) antagonists and the results of computer-aided drug design (CADD) we studied before.All the target compounds have been identified by ¹H NMR, IR and MS (HRMS).Preliminary bioassay suggests that most of the target compounds display good blocking activity to α₁-AR.The 3D-QSAR study is valuable for designing and optimizing new active structures of this kind of compounds.

Key words: benzoxazole, α₁-adrenoceptor antagonist, benign prostatic hyperplasia, 3D-QSAR, self-organizing molecular field analysis

Cite this article

WU Bin, LI Min-Yong, JIANG Zhen-Zhou, XIA Lin. Design, Synthesis and 3D-QSAR Study of 2-[N’-(2-Aryloxyethyl)-piperazinomethyl]-benzoxazole Series asα₁-Adrenoceptor Antagonists[J]. Acta Chimica Sinica, 2004, 62(15): 1430-1436.

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芳氧烷基哌嗪苯并噁唑类α₁-受体拮抗剂的设计、合成及其3D-QSAR研究

Design, Synthesis and 3D-QSAR Study of 2-[N’-(2-Aryloxyethyl)-piperazinomethyl]-benzoxazole Series asα₁-Adrenoceptor Antagonists

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芳氧烷基哌嗪苯并噁唑类α1-受体拮抗剂的设计、合成及其3D-QSAR研究