4-[(3S)-3-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one | 1122571-09-8

• 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-[(3S)-3-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
• 英文别名: 4-[(3S)-3-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one
• CAS: 1122571-09-8
• 化学式: C₂₅H₃₁N₃O₅
• 分子量: 453.538
• InChiKey: ZGGGXKKXFXCGPL-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-bromo-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one 、 (2S)-2-(3,5-dimethoxyphenyl)piperazine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 2-(dicyclohexylphosphino)-2',4',6'-tri-1-propyl-1,1'-biphenyl sodium t-butanolate 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 4-[(3S)-3-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
  参考文献：
  名称：

  ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS

  摘要：

  本发明涉及某些异喹啉-1（2H）-酮化合物，其作为PDE10抑制剂有用，其化学式为：其中R1，R2，R3，R4和R5如本文所定义，包含此类化合物的药物组合物以及制备此类化合物的过程。本发明还涉及治疗由PDE10介导的疾病的方法，例如肥胖症，非胰岛素依赖性糖尿病，精神分裂症，双相情感障碍，强迫症等。

  公开号：

  US20090054434A1

文献信息

• [EN] ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS<br/>[FR] DÉRIVÉS D'ISOQUINOLONE EN TANT QU'INHIBITEURS DE LA PHOSPHODIESTÉRASE 10
  申请人：AMGEN INC

  公开号：WO2009029214A1

  公开（公告）日：2009-03-05

  The present invention is directed to certain isoquinolin-l(2H)-one compounds, useful as PDEl O inhibitors, having the formula: where Rl, R2, R3, R4 and R5 are as defined herein, pharmaceutical compositions containing such compounds and processes for preparing such compounds. The invention is also directed to methods of treating diseases mediated by PDElO, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.
• ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS
  申请人：Hu Essa

  公开号：US20090054434A1

  公开（公告）日：2009-02-26

  The present invention is directed to certain isoquinolin-1(2H)-one compounds, useful as PDE10 inhibitors, having the formula: where R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein, pharmaceutical compositions containing such compounds and processes for preparing such compounds. The invention is also directed to methods of treating diseases mediated by PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  本发明涉及某些异喹啉-1（2H）-酮化合物，其作为PDE10抑制剂有用，其化学式为：其中R1，R2，R3，R4和R5如本文所定义，包含此类化合物的药物组合物以及制备此类化合物的过程。本发明还涉及治疗由PDE10介导的疾病的方法，例如肥胖症，非胰岛素依赖性糖尿病，精神分裂症，双相情感障碍，强迫症等。