(2,4-dichlorophenyl)-N'-[1-(2,5-dichlorophenyl)-2-(imidazol-1-yl)-ethyl]-N''-cyanoguanidine | 545405-67-2

• 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: (2,4-dichlorophenyl)-N'-[1-(2,5-dichlorophenyl)-2-(imidazol-1-yl)-ethyl]-N''-cyanoguanidine
• 英文别名: 1-Cyano-3-(2,4-dichlorophenyl)-2-[1-(2,5-dichlorophenyl)-2-imidazol-1-ylethyl]guanidine
• CAS: 545405-67-2
• 化学式: C₁₉H₁₄Cl₄N₆
• 分子量: 468.172
• InChiKey: UBDSUHWJFNHOFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  78
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Therapeutic Inhibitors of the Reverse Mode of ATP Synthase
  申请人：FORREST Michael David

  公开号：US20200247758A1

  公开（公告）日：2020-08-06

  Compounds of the following formula, and pharmaceutically-acceptable salts, solvates, hydrates and prodrugs thereof, formula (A) are useful to preferentially inhibit the ATP-hydrolysing mode of ATP synthase, and are thereby useful for treating various diseases and orders including cancer, particularly cancers that utilise the Warburg effect.