2-{[7-chloro-2-(2-chloro-6-fluorophenyl)-1H-benzimidazole-5-carboxyl]-amino}-1H-benzimidazole-5-carboxylic acid methyl ester | 1329117-99-8

• 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: 2-{[7-chloro-2-(2-chloro-6-fluorophenyl)-1H-benzimidazole-5-carboxyl]-amino}-1H-benzimidazole-5-carboxylic acid methyl ester
• 英文别名: methyl 2-[[7-chloro-2-(2-chloro-6-fluorophenyl)-3H-benzimidazole-5-carbonyl]amino]-3H-benzimidazole-5-carboxylate
• CAS: 1329117-99-8
• 化学式: C₂₃H₁₄Cl₂FN₅O₃
• 分子量: 498.3
• InChiKey: QTLDLJIXYYFZAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• [EN] NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] NOUVEAU COMPOSÉ DE BENZIMIDAZOLE, SON PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE LE CONTENANT
  申请人：CRYSTALGENOMICS INC

  公开号：WO2011099832A2

  公开（公告）日：2011-08-18

  The present invention relates to a novel benzimidazole compound, a pharmaceutical composition for preventing or treating an inflammatory disease comprising said compound, a use of a novel benzimidazole compound for the manufacture of a medicament for preventing or treating an inflammatory disease, and a method of preventing or treating an inflammatory disease in a mammal comprising administering to the mammal said compound.