4'-[(2-butyl-5-chlorosulfonyl-1H-benzimidazol-1-yl)methyl]biphenyl-2-carboxylic acid | 1022177-73-6

• 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'-[(2-butyl-5-chlorosulfonyl-1H-benzimidazol-1-yl)methyl]biphenyl-2-carboxylic acid
• CAS: 1022177-73-6
• 化学式: C₂₅H₂₃ClN₂O₄S
• 分子量: 482.988
• InChiKey: BYEWEAWHFDVJLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.72
• 重原子数：
  33.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  89.26
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4'-[(2-butyl-5-chlorosulfonyl-1H-benzimidazol-1-yl)methyl]biphenyl-2-carboxylic acid 在 氨 、 盐酸 作用下， 以 水 为溶剂， 生成 4'-[(2-butyl-5-sulfamoyl-1H-benzimidazol-1-yl)methyl]biphenyl-2-carboxylic acid
  参考文献：
  名称：

  Design, synthesis, and evaluation of 5-sulfamoyl benzimidazole derivatives as novel angiotensin II receptor antagonists

  摘要：

  A series of 5-alkylsulfamoyl benzimidazole derivatives have been designed and synthesized as novel angiotensin II (Ang II) receptor antagonists. The compounds have been evaluated for in vitro Ang II antagonism and for in vivo antihypertensive activity on isolated rat aortic ring and desoxycortisone acetate induced hypertensive rats, respectively. The activity is found related to size of alkyl group. The maximum activity is observed with a compact and bulky alkyl group like tert-butyl and cyclohexyl. The compounds 4g and 4h have shown promising both in vitro and in vivo activities. A receptor binding model is also proposed on the basis on the basis of structure-activity relationship in this study. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.056
• 作为产物：
  描述：

  4'-[(2-butyl-1H-benzimidazol-1-yl)methyl]biphenyl-2-carboxylic acid 在 氯磺酸 作用下， 生成 4'-[(2-butyl-5-chlorosulfonyl-1H-benzimidazol-1-yl)methyl]biphenyl-2-carboxylic acid
  参考文献：
  名称：

  Design, synthesis, and evaluation of 5-sulfamoyl benzimidazole derivatives as novel angiotensin II receptor antagonists

  摘要：

  A series of 5-alkylsulfamoyl benzimidazole derivatives have been designed and synthesized as novel angiotensin II (Ang II) receptor antagonists. The compounds have been evaluated for in vitro Ang II antagonism and for in vivo antihypertensive activity on isolated rat aortic ring and desoxycortisone acetate induced hypertensive rats, respectively. The activity is found related to size of alkyl group. The maximum activity is observed with a compact and bulky alkyl group like tert-butyl and cyclohexyl. The compounds 4g and 4h have shown promising both in vitro and in vivo activities. A receptor binding model is also proposed on the basis on the basis of structure-activity relationship in this study. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.056