2-((R)-1-((S)-2-hydroxy-2-(4-(5-(1-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidin-3-yl)acetic acid | 1265322-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-((R)-1-((S)-2-hydroxy-2-(4-(5-(1-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidin-3-yl)acetic acid
• 英文别名: 2-[(3R)-1-[(2S)-2-hydroxy-2-[4-[5-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-3-yl]acetic acid
• CAS: 1265322-93-7
• 化学式: C₂₈H₂₈F₃N₅O₅
• 分子量: 571.556
• InChiKey: PXZNTMIDRVHIKC-UZUQRXQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• HETEROCYCLIC COMPOUNDS
  申请人：Gilmore John L.

  公开号：US20110190255A1

  公开（公告）日：2011-08-04

  Disclosed are compounds of Formula (I) or a stereoisomer or a pharmaceutically acceptable salt thereof, wherein: A is Q is a substituted 5-membered monocyclic heteroaryl group; W is CH 2 , O, or NH; and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , m, n, t, and x are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P 1 , and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  本发明涉及化合物I式或其立体异构体或其药学上可接受的盐，其中：A为Q为取代的5-成员单环杂芳基；W为CH2、O或NH；R1、R2、R3、R4、R5、R6、m、n、t和x在此定义。本发明还涉及使用这些化合物作为选择性G蛋白偶联受体S1P1的激动剂的方法，以及包含这些化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展方面是有用的，如自身免疫性疾病和血管疾病。
• SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP2462139B1

  公开（公告）日：2015-01-14
• US8399451B2
  申请人：——

  公开号：US8399451B2

  公开（公告）日：2013-03-19