| 942429-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 942429-63-2
• 化学式: C₂₄H₂₃N₃O₄
• 分子量: 417.464
• InChiKey: HGIPFCAOTPKLKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  75.35
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以59%的产率得到3-(4-(2-carboxy-1H-pyrrol-1-yl)benzyl)-2-ethyl-3H-benzo[d]imidazole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis and biological activity of 2-alkylbenzimidazoles bearing a N-phenylpyrrole moiety as novel angiotensin II AT1 receptor antagonists

  摘要：

  A series of 2-alkylbenzimidazoles bearing a N-phenylpyrrole moiety were synthesized and evaluated as a novel class of AT(1) receptor antagonists. Among them, compounds 10a and 10g inhibited [ I-125] AngII-binding affinity to AT(1) receptor at nanomolar level and potently inhibited the AngII-induced pressor response by oral administration. Moreover, evaluation in spontaneously hypertensive rats showed that 10a is an orally active AT(1) receptor antagonist. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.042
• 作为产物：
  描述：

  methyl 1-<4-(bromomethyl)phenyl>-1H-pyrrole-2-carboxylate 在 盐酸 、 铁粉 、 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological activity of 2-alkylbenzimidazoles bearing a N-phenylpyrrole moiety as novel angiotensin II AT1 receptor antagonists

  摘要：

  A series of 2-alkylbenzimidazoles bearing a N-phenylpyrrole moiety were synthesized and evaluated as a novel class of AT(1) receptor antagonists. Among them, compounds 10a and 10g inhibited [ I-125] AngII-binding affinity to AT(1) receptor at nanomolar level and potently inhibited the AngII-induced pressor response by oral administration. Moreover, evaluation in spontaneously hypertensive rats showed that 10a is an orally active AT(1) receptor antagonist. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.042