2-methoxy-6-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-methoxy-6-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
• 化学式: C₂₁H₂₃N₅O
• 分子量: 361.4
• InChiKey: SPLDBQFMFIEYLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• N1,N4-BIS(BUTA-1,3-DIENYL)BUTANE-1,4-DIAMINE PHARMACEUTICAL COMPOSITIONS AND METHODS THEREOF
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20140179798A1

  公开（公告）日：2014-06-26

  N1,N4-bis(buta-1,3-dienyl)butane-1,4-diamine dihydrochloride (also referred to as MDL 72,527 and N,N′-di-2,3-butadienyl-1,4-butanediamine dihydrochloride), or salts or solvates thereof, its use as an antioxidant, its use in preventing and/or treating prostate cancer in male humans, and its use in reducing the concentration of reactive oxygen species in human prostate gland tissue or any other body tissue, and methods of making the compound thereof are disclosed. Other disclosed methods include inhibiting acetyl polyamine oxidase in human prostate tissue or other human body tissue comprising administering a therapeutic amount of N,N′-bis(2,3-butadienyl)-1,4-butanediamine or a salt or solvate thereof to the human, and a method of determining oxidative stress in human prostate tissue or other human or animal body tissue comprising measuring a ratio of oxidized 2′,7′-dichlorodihydrofluorescein diacetate fluorescence:DNA fluorescence and hydroethidine dye fluorescence ex vivo or in vivo.