1-ethyl-7-fluoro-4-[(isoquinolin-5-yloxy)acetyl]-3,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one | 878292-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-ethyl-7-fluoro-4-[(isoquinolin-5-yloxy)acetyl]-3,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one
• 英文别名: 1-Ethyl-7-fluoro-4-(2-isoquinolin-5-yloxyacetyl)-3,3-dimethylquinoxalin-2-one
• CAS: 878292-28-5
• 化学式: C₂₃H₂₂FN₃O₃
• 分子量: 407.444
• InChiKey: RFVUUZUZUCHUHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 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.