2-Benzoyloxy-5-[(2-pyridin-4-yl-1H-benzoimidazole-4-carbonyl)-amino]-benzoic acid methyl ester

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-Benzoyloxy-5-[(2-pyridin-4-yl-1H-benzoimidazole-4-carbonyl)-amino]-benzoic acid methyl ester
• 英文别名: methyl 2-benzoyloxy-5-[(2-pyridin-4-yl-1H-benzimidazole-4-carbonyl)amino]benzoate
• 化学式: C₂₈H₂₀N₄O₅
• 分子量: 492.491
• InChiKey: AIRHVTHEZQAJNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯甲酸,二氨基- 在 氯化亚砜 、 potassium hexacyanoferrate(III) 作用下， 以 甲醇 为溶剂， 生成 2-Benzoyloxy-5-[(2-pyridin-4-yl-1H-benzoimidazole-4-carbonyl)-amino]-benzoic acid methyl ester
  参考文献：
  名称：

  Synthesis and antiviral activity against Coxsackie virus B3 of some novel benzimidazole derivatives

  摘要：

  Some benzimidazole derivatives were synthesized and evaluated for their antiviral properties. Compounds 20 and 21 showed potent selective activity against Coxsackie virus B-3 in VERO cells. Some structure-activity relationships were discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.087

文献信息

• Synthesis and antiviral activity against Coxsackie virus B3 of some novel benzimidazole derivatives
  作者：Jun Cheng、Jiangtao Xie、Xianjin Luo

  DOI：10.1016/j.bmcl.2004.10.087

  日期：2005.1

  Some benzimidazole derivatives were synthesized and evaluated for their antiviral properties. Compounds 20 and 21 showed potent selective activity against Coxsackie virus B-3 in VERO cells. Some structure-activity relationships were discussed. (C) 2004 Elsevier Ltd. All rights reserved.