(S)-4-(1-(1-(pyridin-3-ylmethyl)indoline-7-carboxamido)ethyl)benzoic acid | 1268350-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (S)-4-(1-(1-(pyridin-3-ylmethyl)indoline-7-carboxamido)ethyl)benzoic acid
• 英文别名: 4-[(1S)-1-[[1-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoic acid
• CAS: 1268350-87-3
• 化学式: C₂₄H₂₃N₃O₃
• 分子量: 401.465
• InChiKey: YLOMCTJFMDCDTL-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (S)-4-(1-(1-(pyridin-3-ylmethyl)indoline-7-carboxamido)ethyl)benzoic acid
  参考文献：
  名称：

  A novel series of potent and selective EP4 receptor ligands: Facile modulation of agonism and antagonism

  摘要：

  A novel series of EP4 ligands, based on a benzyl indoline scaffold, has been discovered. It was found that agonism and antagonism in this series can be easily modulated by minor modifications on the benzyl group. The pharmacokinetic, metabolic and pharmacological profiles of these compounds was explored. It was found that these compounds show good pharmacokinetics in rat and are efficacious in pre-clinical models of pain and inflammation. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.106