4'-(5-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid | 133142-08-2

• 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-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
• 英文别名: 4''-(5-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid；2-[4-[(5-amino-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
• CAS: 133142-08-2
• 化学式: C₂₅H₂₅N₃O₂
• 分子量: 399.492
• InChiKey: KFMWZMWVFMSNTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  戊酰氯 、 4'-(5-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid 在 sodium hydroxide 作用下， 反应 0.5h， 以46%的产率得到4'-(2-butyl-5-pentanoylamino-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
• 作为产物：
  描述：

  4-acetamidomethylbiphenyl-2'-carboxylic acid 在 sodium hydroxide 、 potassium carbonate 、 锌 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 、 xylene 为溶剂， 生成 4'-(5-Amino-2-butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
  参考文献：
  名称：

  设计，合成和评估新型取代的苯并咪唑化合物作为血管紧张素II受体拮抗剂。

  摘要：

  已经设计，合成并评估了在2-位具有不同取代基的5-硝基苯并咪唑衍生物的血管紧张素II拮抗活性。已经提出了药物-受体相互作用模型。

  DOI：

  10.1016/j.bmcl.2005.05.054

文献信息

• Design, synthesis, and evaluation of novelly substituted benzimidazole compounds as angiotensin II receptor antagonists
  作者：Alka Bali、Yogita Bansal、M. Sugumaran、Jatinder Singh Saggu、P. Balakumar、Gurpreet Kaur、Gulshan Bansal、Ajay Sharma、Manjeet Singh

  DOI：10.1016/j.bmcl.2005.05.054

  日期：2005.9

  5-Nitrobenzimidazole derivatives with varying substituents at 2-position have been designed, synthesized, and evaluated for angiotensin II antagonistic activity. A drug-receptor interaction model has been proposed.

  已经设计，合成并评估了在2-位具有不同取代基的5-硝基苯并咪唑衍生物的血管紧张素II拮抗活性。已经提出了药物-受体相互作用模型。
• 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.