4-{6-[(3-cyclopentyl-2-mercaptomethyl-propionylamino)methyl]-4-methyl-2-propylbenzoimidazol-1-ylmethyl}-2-fluorobenzoic acid | 1092950-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-{6-[(3-cyclopentyl-2-mercaptomethyl-propionylamino)methyl]-4-methyl-2-propylbenzoimidazol-1-ylmethyl}-2-fluorobenzoic acid
• 英文别名: 4-[[6-[[[2-(Cyclopentylmethyl)-3-sulfanylpropanoyl]amino]methyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]-2-fluorobenzoic acid
• CAS: 1092950-25-8
• 化学式: C₂₉H₃₆FN₃O₃S
• 分子量: 525.688
• InChiKey: FLUYNYXMAOHHFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  85.2
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Dual-acting benzoimidazole antihypertensive agents
  申请人：Allegretti Paul

  公开号：US20080318951A1

  公开（公告）日：2008-12-25

  The invention is directed to compounds having the formula: wherein: Ar, r, n, X, R 2-3 and R 5-7 are as defined in the specification, and pharmaceutically acceptable salts thereof. These compounds have AT 1 receptor antagonist activity and neprilysin inhibition activity. The invention is also directed to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

  这项发明涉及具有以下结构的化合物： 其中：Ar、r、n、X、R 2-3 和R 5-7 如规范中所定义，并且其药学上可接受的盐。这些化合物具有AT 1 受体拮抗活性和神经肽酶抑制活性。该发明还涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。
• DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS
  申请人：Allegretti Paul

  公开号：US20140107120A1

  公开（公告）日：2014-04-17

  The invention is directed to compounds having the formula: wherein: Ar, r, n, X, R 2-3 and R 5-7 are as defined in the specification, and pharmaceutically acceptable salts thereof. These compounds have AT 1 receptor antagonist activity and neprilysin inhibition activity. The invention is also directed to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

  本发明涉及具有以下公式的化合物：其中：Ar、r、n、X、R2-3和R5-7如规范中所定义，并且它们的药学上可接受的盐。这些化合物具有AT1受体拮抗活性和酰肽酶抑制活性。本发明还涉及包含这些化合物的制药组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。
• US8637676B2
  申请人：——

  公开号：US8637676B2

  公开（公告）日：2014-01-28
• US9198899B2
  申请人：——

  公开号：US9198899B2

  公开（公告）日：2015-12-01
• [EN] DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS<br/>[FR] AGENTS ANTIHYPERTENSEURS DE BENZIMIDAZOLE À DOUBLE EFFET
  申请人：THERAVANCE INC

  公开号：WO2008153857A1

  公开（公告）日：2008-12-18

  [EN] The invention is directed to compounds having the formula: (I) wherein: Ar, r, n, X, R2-3 and R5-7 are as defined in the specification, and pharmaceutically acceptable salts thereof. These compounds have AT1 receptor antagonist activity and neprilysin inhibition activity. The invention is also directed to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.
  [FR] L'invention concerne des composés ayant la formule: (I) où Ar, r, n, X, R2-3 et R5-7 sont tels que définis dans la description, et des sels pharmaceutiquement acceptables de ceux-ci. Ces composés ont une activité d'antagoniste de récepteurs AT1 et une activité d'inhibition de néprilysine. L'invention concerne également des compositions pharmaceutiques comprenant de tels composés; des procédés d'utilisation de tels composés; et un procédé et des intermédiaires pour préparer de tels composés.