methyl 4-[(1S)-1-({[1-(4-chlorobenzyl)-2,3-dihydro-1H-indol-7-yl]carbonyl}amino)ethyl]benzoate | 1097194-89-2

• 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: methyl 4-[(1S)-1-({[1-(4-chlorobenzyl)-2,3-dihydro-1H-indol-7-yl]carbonyl}amino)ethyl]benzoate
• 英文别名: methyl 4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoate
• CAS: 1097194-89-2
• 化学式: C₂₆H₂₅ClN₂O₃
• 分子量: 448.949
• InChiKey: RWLRWRHSUNDQGQ-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-[(1S)-1-({[1-(4-chlorobenzyl)-2,3-dihydro-1H-indol-7-yl]carbonyl}amino)ethyl]benzoate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-[(1S)-1-({[1-(4-chlorobenzyl)-2,3-dihydro-1H-indol-7-yl]carbonyl}amino)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
• 作为产物：
  描述：

  methyl 4-{(1S)-1-[(2,3-dihydro-1H-indol-7-ylcarbonyl)amino]ethyl}benzoate hydrochloride 、 4-氯苄溴 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 methyl 4-[(1S)-1-({[1-(4-chlorobenzyl)-2,3-dihydro-1H-indol-7-yl]carbonyl}amino)ethyl]benzoate
  参考文献：
  名称：

  EP2172447

  摘要：

  公开号：

文献信息

• AMIDE COMPOUNDS
  申请人：Nozawa Eisuke

  公开号：US20110028463A1

  公开（公告）日：2011-02-03

  [Problems] To provide a compound that is useful as an agent for treating chronic renal insufficiency or an agent for treating diabetic nephropathy. [Means for Solving Problems] The present inventors have conducted extensive studies on a compound having an EP4 receptor antagonistic action, and as a result, they have found that various amide derivatives having a carboxylic group or an equivalent thereof exhibit an excellent EP4 receptor antagonistic action, thereby completing the present invention. Since the compound of the present invention has an excellent EP4 receptor antagonistic action, it is useful as an agent for preventing and/or treating chronic renal insufficiency or diabetic nephropathy.

  【问题】提供一种可用作治疗慢性肾功能不全或糖尿病肾病的药物化合物。 【解决问题的方法】本发明者对具有EP4受体拮抗作用的化合物进行了广泛的研究，结果发现具有羧酸基或其等效物的各种酰胺衍生物表现出优异的EP4受体拮抗作用，从而完成了本发明。由于本发明的化合物具有优异的EP4受体拮抗作用，因此可用作预防和/或治疗慢性肾功能不全或糖尿病肾病的药物。
• AMIDE COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：EP2172447A1

  公开（公告）日：2010-04-07

  [Problems] To provide a compound that is useful as an agent for treating chronic renal insufficiency or an agent for treating diabetic nephropathy. [Means for Solving Problems] The present inventors have conducted extensive studies on a compound having an EP4 receptor antagonistic action, and as a result, they have found that various amide derivatives having a carboxylic group or an equivalent thereof exhibit an excellent EP4 receptor antagonistic action, thereby completing the present invention. Since the compound of the present invention has an excellent EP4 receptor antagonistic action, it is useful as an agent for preventing and/or treating chronic renal insufficiency or diabetic nephropathy.

  [问题]提供一种可作为治疗慢性肾功能不全的药物或治疗糖尿病肾病的药物的化合物。 [解决问题的方法]本发明人对具有 EP4 受体拮抗作用的化合物进行了广泛的研究，结果发现具有羧基或其等价物的各种酰胺衍生物具有优异的 EP4 受体拮抗作用，从而完成了本发明。 由于本发明的化合物具有优异的 EP4 受体拮抗作用，因此可用作预防和/或治疗慢性肾功能不全或糖尿病肾病的药物。
• Amide compounds and their use as PGE2 antagonists.
  申请人：Astellas Pharma Inc.

  公开号：EP2460787A1

  公开（公告）日：2012-06-06

  [Problems] To provide a compound that is useful as an agent for treating chronic renal insufficiency or an agent for treating diabetic nephropathy. [Means for Solving Problems] The present inventors have conducted extensive studies on a compound having an EP4 receptor antagonistic action, and as a result, they have found that various amide derivatives having a carboxylic group or an equivalent thereof exhibit an excellent EP4 receptor antagonistic action, thereby completing the present invention. Since the compound of the present invention has an excellent EP4 receptor antagonistic action, it is useful as an agent for preventing and/or treating chronic renal insufficiency or diabetic nephropathy.

  [问题]提供一种可作为治疗慢性肾功能不全的药物或治疗糖尿病肾病的药物的化合物。 [解决问题的方法]本发明人对具有 EP4 受体拮抗作用的化合物进行了广泛的研究，结果发现具有羧基或其等价物的各种酰胺衍生物具有优异的 EP4 受体拮抗作用，从而完成了本发明。 由于本发明的化合物具有优异的 EP4 受体拮抗作用，因此可用作预防和/或治疗慢性肾功能不全或糖尿病肾病的药物。
• EP2172447
  申请人：——

  公开号：——

  公开（公告）日：——
• A novel series of potent and selective EP4 receptor ligands: Facile modulation of agonism and antagonism
  作者：Michael J. Boyd、Carl Berthelette、Jean-François Chiasson、Patsy Clark、John Colucci、Danielle Denis、Yongxin Han、Jean-Francois Lévesque、Marie-Claude Mathieu、Rino Stocco、Alex Therien、Steve Rowland、Mark Wrona、Daigen Xu

  DOI：10.1016/j.bmcl.2010.10.106

  日期：2011.1

  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.