4'-{6-butyl-3-[(2-(mercaptomethyl)-4-methylpentanoylamino)methyl]-2-oxo-2H-pyridin-1-ylmethyl}biphenyl-2-carboxylic acid | 1073550-81-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-{6-butyl-3-[(2-(mercaptomethyl)-4-methylpentanoylamino)methyl]-2-oxo-2H-pyridin-1-ylmethyl}biphenyl-2-carboxylic acid
• 英文别名: 4'-{6-Butyl-3-[(2-mercaptomethyl-4-methylpentanoylamino)methyl]-2-oxo-2h-pyridin-1-ylmethyl}biphenyl-2-carboxylic acid；2-[4-[[6-butyl-3-[[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]methyl]-2-oxopyridin-1-yl]methyl]phenyl]benzoic acid
• CAS: 1073550-81-8
• 化学式: C₃₁H₃₈N₂O₄S
• 分子量: 534.72
• InChiKey: LGCPOJKWHMKJRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[(acetylthio)methyl]-4-methylpentanoic acid 、 O-(7-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 4'-(3-Aminomethyl-6-butyl-2-oxo-2H-pyridin-1-ylmethyl)biphenyl-2-carboxylic acid HCl 在 水 、 盐酸 、 乙酸乙酯 、 Sodium sulfate-III 、 甲醇 、 氮 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.58h， 以to afford the title compound (7.5 mg, 140 μmol)的产率得到4'-{6-butyl-3-[(2-(mercaptomethyl)-4-methylpentanoylamino)methyl]-2-oxo-2H-pyridin-1-ylmethyl}biphenyl-2-carboxylic acid
  参考文献：
  名称：

  Dual-acting antihypertensive agents

  摘要：

  本发明涉及具有下式的化合物：其中：Ar、r、Y、Z、Q、W、X和R5-7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AT1受体拮抗剂活性和神经肽酶抑制活性。本发明还涉及包括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。

  公开号：

  US20080269305A1

文献信息

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

  公开号：US20090023228A1

  公开（公告）日：2009-01-22

  The invention is directed to compounds having the formula: wherein: Ar, r, R 2-3 , X, 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结构式的化合物：其中：Ar、r、R2-3、X和R5.7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AT1受体拮抗活性和神经肽酶抑制活性。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。
• DUAL-ACTING ANTIHYPERTENSIVE AGENTS
  申请人：Allegretti Paul

  公开号：US20110281925A1

  公开（公告）日：2011-11-17

  The invention is directed to compounds having the formula: wherein: Ar, r, Y, Z, Q, W, X, 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.

  该发明涉及具有以下式子的化合物：其中：Ar、r、Y、Z、Q、W、X和R5-7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AT1受体拮抗活性和酶解酶抑制活性。该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。
• DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS
  申请人：ALLEGRETTI Paul

  公开号：US20110092551A1

  公开（公告）日：2011-04-21

  The invention is directed to compounds having the formula: wherein: Ar, r, R 2-3 , X, 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.

  本发明涉及具有下式的化合物：其中：Ar，r，R2-3，X和R5-7如说明书所定义，以及其药学上可接受的盐。这些化合物具有AT1受体拮抗活性和酶解酶抑制活性。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。
• Dual-acting imidazole antihypertensive agents
  申请人：Choi Seok-Ki

  公开号：US09273008B2

  公开（公告）日：2016-03-01

  The invention is directed to compounds having the formula: wherein: Ar, r, R2-3, X, 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.

  本发明涉及具有以下式的化合物：其中：Ar、r、R2-3、X和R5-7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AT1受体拮抗活性和神经肽酶抑制活性。本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。
• US7879896B2
  申请人：——

  公开号：US7879896B2

  公开（公告）日：2011-02-01