4'-(5-benzoylamino-2-butyl-benzoimidazol-1-yl-methyl)-biphenyl-2-carboxylic acid | 1078723-62-2

• 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'-(5-benzoylamino-2-butyl-benzoimidazol-1-yl-methyl)-biphenyl-2-carboxylic acid
• 英文别名: 2-[4-[(5-Benzamido-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
• CAS: 1078723-62-2
• 化学式: C₃₂H₂₉N₃O₃
• 分子量: 503.601
• InChiKey: NIXJFHKXSBEZJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  84.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲酰氯 、 4'-(5-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid 在 sodium hydroxide 作用下， 反应 0.5h， 以56%的产率得到4'-(5-benzoylamino-2-butyl-benzoimidazol-1-yl-methyl)-biphenyl-2-carboxylic acid
  参考文献：
  名称：

  Angiotensin II – AT1 receptor antagonists: Design, synthesis and evaluation of substituted carboxamido benzimidazole derivatives

  摘要：

  A series of 5-(alkyl and aryl)carboxamido benzimidazole derivatives had been designed, synthesized and evaluated for in vitro angiotensin II - AT(1) receptor antagonism and in vivo antihypertensive activities. The pharmacological activities were inversely related to the size of alkyl and aryl substituents. It can be suggested that compounds with lower alkyl groups at 5-position of benzimidazole nucleus demonstrated potent antihypertensive activity. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.11.008

文献信息

• Angiotensin II – AT1 receptor antagonists: Design, synthesis and evaluation of substituted carboxamido benzimidazole derivatives
  作者：Dhvanit I. Shah、Manu Sharma、Yogita Bansal、Gulshan Bansal、Manjeet Singh

  DOI：10.1016/j.ejmech.2007.11.008

  日期：2008.9

  A series of 5-(alkyl and aryl)carboxamido benzimidazole derivatives had been designed, synthesized and evaluated for in vitro angiotensin II - AT(1) receptor antagonism and in vivo antihypertensive activities. The pharmacological activities were inversely related to the size of alkyl and aryl substituents. It can be suggested that compounds with lower alkyl groups at 5-position of benzimidazole nucleus demonstrated potent antihypertensive activity. (C) 2007 Elsevier Masson SAS. All rights reserved.