1-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-N-(2-(pyridin-2-yl)ethyl)-2-(3-(trifluoromethoxy)-phenyl)-1H-benzo[d]imidazole-5-carboxamide | 1021506-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-N-(2-(pyridin-2-yl)ethyl)-2-(3-(trifluoromethoxy)-phenyl)-1H-benzo[d]imidazole-5-carboxamide
• 英文别名: 1-(1-amino-5-guanidino-1-oxopentan-2-yl)-N-(2-(pyridin-2-yl)ethyl)-2-(3-(trifluoromethoxy)-phenyl)-1H-benzo[d]imidazole-5-carboxamide；1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide
• CAS: 1021506-88-6
• 化学式: C₂₈H₂₉F₃N₈O₃
• 分子量: 582.585
• InChiKey: HKURRURCOFIHPK-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  9

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.