1-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-2-(3-(3,5-dichlorophenoxy)-phenyl)-N-(3-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide | 1021507-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-2-(3-(3,5-dichlorophenoxy)-phenyl)-N-(3-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
• 英文别名: 1-(1-amino-5-guanidino-1-oxopentan-2-yl)-2-(3-(3,5-dichlorophenoxy)-phenyl)-N-(3-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide；1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[3-(3,5-dichlorophenoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
• CAS: 1021507-22-1
• 化学式: C₃₄H₃₀Cl₂F₃N₇O₃
• 分子量: 712.559
• InChiKey: CYIBPDMLVLUFTQ-LJAQVGFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  49
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  164
• 氢给体数：
  4
• 氢受体数：
  8

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.