[4-(1H-indol-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone

• 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: [4-(1H-indol-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone
• 化学式: C₂₀H₂₁N₃O
• 分子量: 319.4
• InChiKey: NMKCMLGGRZZIQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Compositions and methods for modulating sirtuin activity
  申请人：Kazantsev Aleksey G.

  公开号：US20080021063A1

  公开（公告）日：2008-01-24

  The present invention is based, in part, on our discovery of compounds that inhibit an activity of a sirtuin (e.g., compounds that inhibit or preferentially inhibit an activity of SIRT2) and are therefore believed useful in the treatment or prevention of diseases associated with sirtuin activity. These diseases include, but are not limited to, neurological disorders such as Parkinson's Disease (PD).