1-(4-(5-(2-(1-benzylcyclobutyl)ethyl)-1,2,4-oxadiazol-3-yl)bnzyl)-3-azetidinecarboxylic acid | 1356466-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(4-(5-(2-(1-benzylcyclobutyl)ethyl)-1,2,4-oxadiazol-3-yl)bnzyl)-3-azetidinecarboxylic acid
• 英文别名: 1-[[4-[5-[2-(1-Benzylcyclobutyl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
• CAS: 1356466-72-2
• 化学式: C₂₆H₂₉N₃O₃
• 分子量: 431.535
• InChiKey: PPPVEGOAYSBDOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS
  申请人：Das Jagabandhu

  公开号：US20130158001A1

  公开（公告）日：2013-06-20

  Disclosed are compounds of Formula (I): (I) or stereoisomers, salts, or prodrugs thereof, wherein: (i) R1 and R2 are independently C 1 -C 4 alkyl, or (ii) R 1 and R 2 together with the carbon atom to which they are attached, form a cyclic group; and Q is H, C 1-6 alkyl, phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents, and G is defined herein. Also disclosed are method of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. There 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 chronic inflammatory disease.

  本发明涉及式(I)的化合物：(I)或其立体异构体、盐或前药，其中：(i) R1和R2独立地是C1-C4烷基，或者(ii) R1和R2与它们连接的碳原子一起形成一个环状基团；Q为H、C1-6烷基、苯基或5-到6-成员杂环芳基取代零至3个取代基，G在此定义。还公开了使用这些化合物作为选择性G蛋白偶联受体S1P1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中是有用的，例如自身免疫性疾病和慢性炎症性疾病。
• Substituted 3-phenyl-1,2,4-oxadiazole compounds
  申请人：Bristol-Myers Squibb Company

  公开号：EP2595969B1

  公开（公告）日：2015-04-22
• US8822510B2
  申请人：——

  公开号：US8822510B2

  公开（公告）日：2014-09-02