ethyl 3-(6-nitro-1H-benzimidazol-2-yl)benzoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: ethyl 3-(6-nitro-1H-benzimidazol-2-yl)benzoate
• 化学式: C₁₆H₁₃N₃O₄
• 分子量: 311.297
• InChiKey: BFSYJHBAIHYTRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-(6-nitro-1H-benzimidazol-2-yl)benzoate 、 胍 以 异丙醇 为溶剂， 生成 N-carbamimidoyl-3-(6-nitro-1H-benzimidazol-2-yl)benzamide
  参考文献：
  名称：

  Benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines as novel Na+/H+ exchanger inhibitors, synthesis and protection against ischemic-reperfusion injury

  摘要：

  A novel series of benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines were designed and synthesized as Na+/H(+)exchanger inhibitors. Most of them were found to inhibit NHE1-mediated platelet swelling in a concentration-dependent manner, and to have significant cardioprotective effect against myocardial ischemic-reperfusion injury, among which compounds 10a and 34 were more potent than cariporide in both in vivo and in vitro tests. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.035
• 作为产物：
  描述：

  3-(6-nitro-1H-benzimidazol-2-yl)benzoic acid 、 乙醇 在 硫酸 作用下， 生成 ethyl 3-(6-nitro-1H-benzimidazol-2-yl)benzoate
  参考文献：
  名称：

  Benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines as novel Na+/H+ exchanger inhibitors, synthesis and protection against ischemic-reperfusion injury

  摘要：

  A novel series of benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines were designed and synthesized as Na+/H(+)exchanger inhibitors. Most of them were found to inhibit NHE1-mediated platelet swelling in a concentration-dependent manner, and to have significant cardioprotective effect against myocardial ischemic-reperfusion injury, among which compounds 10a and 34 were more potent than cariporide in both in vivo and in vitro tests. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.035

文献信息

• Benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines as novel Na+/H+ exchanger inhibitors, synthesis and protection against ischemic-reperfusion injury
  作者：Rui Zhang、Lin Lei、Yun-Gen Xu、Wei-Yi Hua、Guo-Qing Gong

  DOI：10.1016/j.bmcl.2007.02.035

  日期：2007.5

  A novel series of benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines were designed and synthesized as Na+/H(+)exchanger inhibitors. Most of them were found to inhibit NHE1-mediated platelet swelling in a concentration-dependent manner, and to have significant cardioprotective effect against myocardial ischemic-reperfusion injury, among which compounds 10a and 34 were more potent than cariporide in both in vivo and in vitro tests. (C) 2007 Elsevier Ltd. All rights reserved.