Identification of benzoxazole analogs as novel, S1P 3 sparing S1P 1 agonists

…, F Ren, TB Guo, H Lu, JN Xiang, JD Elliott, X Lin

Index: Deng, Guanghui; Meng, Qinghua; Liu, Qian; Xu, Xuesong; Xu, Qiongfeng; Ren, Feng; Guo, Taylor B.; Lu, Hongtao; Xiang, Jia-Ning; Elliott, John D.; Lin, Xichen Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 12 p. 3973 - 3977

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Citation Number: 3

Abstract

A novel series of benzoxazole-derived S1P1 agonists were designed based on scaffold hopping molecular design strategy combined with computational approaches. Extensive SAR studies led to the discovery of compound 17d as a selective S1P1 agonist (over S1P3) with high CNS penetration and favorable DMPK properties. 17d also demonstrated in vivo pharmacological efficacy to reduce blood lymphocyte in mice after oral administration.