4-{4-[3,5-bis(trifluoromethyl)phenoxy]butanoyl}-7-fluoro-1-methyl-3,4-dihydroquinoxalin-2(1H)-one | 878292-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4-{4-[3,5-bis(trifluoromethyl)phenoxy]butanoyl}-7-fluoro-1-methyl-3,4-dihydroquinoxalin-2(1H)-one
• 英文别名: 4-[4-[3,5-bis(trifluoromethyl)phenoxy]butanoyl]-7-fluoro-1-methyl-3H-quinoxalin-2-one
• CAS: 878292-55-8
• 化学式: C₂₁H₁₇F₇N₂O₃
• 分子量: 478.366
• InChiKey: NBYUAICJMRVVLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20130281435A1

  公开（公告）日：2013-10-24

  [Summary] [Problem] The present invention aims to provide an agent for the prophylaxis or treatment of irritable bowel syndrome. [Solving Means] An agent for the prophylaxis or treatment of irritable bowel syndrome, containing a compound having a TGR5 receptor agonist activity, a fused ring compound represented by the formula wherein ring A is an optionally substituted aromatic ring, and ring B′ is a 5- to 9-membered ring having one or more substituents, or a salt thereof as an active ingredient.