7-fluoro-3,3-dimethyl-4-{[(1-methyl-2-oxidoisoquinolin-5-yl)oxy]acetyl}-3,4-dihydroquinoxalin-2(1H)-one | 878292-46-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 7-fluoro-3,3-dimethyl-4-{[(1-methyl-2-oxidoisoquinolin-5-yl)oxy]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
• 英文别名: 7-fluoro-3,3-dimethyl-4-[2-(1-methyl-2-oxidoisoquinolin-2-ium-5-yl)oxyacetyl]-1H-quinoxalin-2-one
• CAS: 878292-46-7
• 化学式: C₂₂H₂₀FN₃O₄
• 分子量: 409.417
• InChiKey: OSVXCONHKSITKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  84.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME
  申请人：Maruyama Minoru

  公开号：US20110136788A1

  公开（公告）日：2011-06-09

  [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.