(S)-2-(5-(4-(4-fluorophenyl)piperazine-1-carbonyl)-2-(3-(phenylthio)phenyl)-1H-benzo[d]imidazol-1-yl)-5-guanidinopentanamide | 1021506-82-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-2-(5-(4-(4-fluorophenyl)piperazine-1-carbonyl)-2-(3-(phenylthio)phenyl)-1H-benzo[d]imidazol-1-yl)-5-guanidinopentanamide
• 英文别名: 2-(5-(4-(4-fluorophenyl)piperazine-1-carbonyl)-2-(3-(phenylthio)phenyl)-1H-benzo[d]imidazol-1-yl)-5-guanidinopentanamide；(2S)-5-(diaminomethylideneamino)-2-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenylsulfanylphenyl)benzimidazol-1-yl]pentanamide
• CAS: 1021506-82-0
• 化学式: C₃₆H₃₇FN₈O₂S
• 分子量: 664.807
• InChiKey: MATUBDUWEKSUJT-YTTGMZPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  174
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR
  申请人：Olsson Roger

  公开号：US20080249081A1

  公开（公告）日：2008-10-09

  Disclosed herein are benzoimidazole compounds; pharmaceutical compositions comprising a therapeutically effective amount of the same; methods of modulating the activity of an MrgX1 or an MrgX2 receptor using the same; and methods of alleviating acute, chronic and neuropathic pain in a subject using the same. Also disclosed are methods of identifying a benzoimidazole compound that modulates the activity of an MrgX1 or an MrgX2 receptor; methods of identifying a benzoimidazole compound effective for the treatment of pain.