(3'S,4'R)-6-[(R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-4'-hydroxy-1',2',3',4',5',6'-hexahydro[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxyethyl)benzyl]cyclopropylamide | 949152-09-4

• 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: (3'S,4'R)-6-[(R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-4'-hydroxy-1',2',3',4',5',6'-hexahydro[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxyethyl)benzyl]cyclopropylamide
• 英文别名: (3S,4R)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cyclopropyl-4-(6-((R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl)pyridin-3-yl)-4-hydroxypiperidine-3-carboxamide；(3S,4R)-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[(3R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]pyridin-3-yl]-4-hydroxypiperidine-3-carboxamide
• CAS: 949152-09-4
• 化学式: C₃₅H₄₁Cl₃N₄O₄
• 分子量: 688.094
• InChiKey: ZYLYHIRSGOICHC-WCABBKOESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  87.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-[(R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-4'-hydroxy-1',2',3',4',5',6'-hexahydro[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxyethyl)benzyl]cyclopropylamide 以33%的产率得到(3'S,4'R)-6-[(R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-4'-hydroxy-1',2',3',4',5',6'-hexahydro[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxyethyl)benzyl]cyclopropylamide
  参考文献：
  名称：

  AMINES

  摘要：

  这项发明涉及新型胺衍生物及其在制备药物组合物中作为活性成分的用途。该发明还涉及相关方面，包括制备这些化合物的过程、含有其中一个或多个这些化合物的药物组合物，特别是它们作为肾素抑制剂的用途。

  公开号：

  US20090062342A1

文献信息

• Piperidine-based renin inhibitors: Upper chain optimization
  作者：Olivier Corminboeuf、Olivier Bezençon、Ľuboš Remeň、Corinna Grisostomi、Sylvia Richard-Bildstein、Daniel Bur、Lars Prade、Panja Strickner、Patrick Hess、Walter Fischli、Beat Steiner、Alexander Treiber

  DOI：10.1016/j.bmcl.2010.08.087

  日期：2010.11

  The optimization of the 4-position of recently described new 3,4-disubstituted piperidine-based renin inhibitors is reported herein. The synthesis and characterization of compounds leading to the discovery of 11 (ACT-178882, MK-1597), a renin inhibitor with a suitable profile for development is described. (C) 2010 Elsevier Ltd. All rights reserved.
• AMINES
  申请人：Bezencon Olivier

  公开号：US20090062342A1

  公开（公告）日：2009-03-05

  The invention relates to novel amine derivatives and the use thereof as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors of renin.

  这项发明涉及新型胺衍生物及其在制备药物组合物中作为活性成分的用途。该发明还涉及相关方面，包括制备这些化合物的过程、含有其中一个或多个这些化合物的药物组合物，特别是它们作为肾素抑制剂的用途。