5-Ethylsulfanyl-8,11,11-trimethyl-4-[[4-(5-methylpyridin-2-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-Ethylsulfanyl-8,11,11-trimethyl-4-[[4-(5-methylpyridin-2-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
• 英文别名: 5-ethylsulfanyl-8,11,11-trimethyl-4-[[4-(5-methylpyridin-2-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
• 化学式: C₂₅H₂₈N₆OS
• 分子量: 460.6
• InChiKey: DVLYZSGYMGQQAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.9
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• ORGANIC COMPOUNDS
  申请人：Li Peng

  公开号：US20140194396A1

  公开（公告）日：2014-07-10

  The present invention relates to PDEI inhibitory compounds of Formula I as described herein, processes for their production, their use as pharmaceuticals and pharmaceutical compositions comprising them.
• COMPOUNDS AND METHODS
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US20170291904A1

  公开（公告）日：2017-10-12

  The subject matter generally relates to compounds and methods of treatment and/or prophylaxis of CNS diseases, disorders, and/or injuries. In one aspect, the subject matter relates to inhibitors of phosphodiesterase 1 (PDE1) as neuroprotective agents and/or neural regenerative agents. In a further aspect, the subject matter relates to individuals that are at risk for the development of CNS disease or disorder.