N-{(1S)-1-[4-(1H-tetrazol-5-yl)phenyl]ethyl-1-[4-(trifluoromethyl)benzyl]}indoline-7-carboxamide

• 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: N-{(1S)-1-[4-(1H-tetrazol-5-yl)phenyl]ethyl-1-[4-(trifluoromethyl)benzyl]}indoline-7-carboxamide
• 英文别名: (S)-N-(1-(4-(2H-tetrazol-5-yl)phenyl)ethyl)-1-(4-(trifluoromethyl)benzyl)indoline-7-carboxamide；N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-7-carboxamide
• 化学式: C₂₆H₂₃F₃N₆O
• 分子量: 492.503
• InChiKey: DIYWIQWQEJPXAR-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 、 三正丁基叠氮化锡 作用下， 以 甲苯 为溶剂， 生成 N-{(1S)-1-[4-(1H-tetrazol-5-yl)phenyl]ethyl-1-[4-(trifluoromethyl)benzyl]}indoline-7-carboxamide
  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

文献信息

• Indole Amide Derivatives as Ep4 Receptot Ligands
  申请人：Boyd Michael

  公开号：US20090105321A1

  公开（公告）日：2009-04-23

  The invention is directed to indoline amide derivatives as EP4 receptor ligands, antagonists or agonists, useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, osteoarthritis, rheumatoid arthritis, cancer and glaucoma. Pharmaceutical compositions and methods of use are also included.

  本发明涉及吲哚啉酰胺衍生物作为EP4受体配体，拮抗剂或激动剂，用于治疗EP4介导的疾病或病状，例如急性和慢性疼痛，骨关节炎，类风湿性关节炎，癌症和青光眼。还包括药物组合物和使用方法。
• INDOLINE AMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS
  申请人：Merck Canada Inc.

  公开号：EP2035376B1

  公开（公告）日：2014-08-27
• US7705035B2
  申请人：——

  公开号：US7705035B2

  公开（公告）日：2010-04-27