2-bromo-4-{6-[((S)-2-mercapto-3-phenylpropionylamino)methyl]-4-methyl-2-propylbenzoimidazol-1-ylmethyl}benzoic acid | 1092949-80-8

• 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: 2-bromo-4-{6-[((S)-2-mercapto-3-phenylpropionylamino)methyl]-4-methyl-2-propylbenzoimidazol-1-ylmethyl}benzoic acid
• 英文别名: 2-bromo-4-[[4-methyl-6-[[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]methyl]-2-propylbenzimidazol-1-yl]methyl]benzoic acid
• CAS: 1092949-80-8
• 化学式: C₂₉H₃₀BrN₃O₃S
• 分子量: 580.545
• InChiKey: ZCEVTYUXTUARFC-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  85.2
• 氢给体数：
  3
• 氢受体数：
  5

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