N-(2-cyanoethyl)-3-[4-methyl-2-[3-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydroisoquinolin-8-yl]benzamide hydrochloride | 1207963-54-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: N-(2-cyanoethyl)-3-[4-methyl-2-[3-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydroisoquinolin-8-yl]benzamide hydrochloride
• 英文别名: N-(2-cyanoethyl)-3-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzamide;hydrochloride
• CAS: 1207963-54-9
• 化学式: C₂₈H₂₆F₃N₃O*ClH
• 分子量: 513.99
• InChiKey: BEJHKLTZIWEVNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.56
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  56.1
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• AMIDE COMPOUND
  申请人：Setoh Masaki

  公开号：US20100041891A1

  公开（公告）日：2010-02-18

  A compound having GPR52 agonist activity or a salt thereof is provided. The compound can be provided as a preventive/therapeutic agent for schizophrenia or the like. The compound is represented by the following formula: wherein A represents —CONR a — or —NR a CO—, R a represents a hydrogen atom or the like, B represents a hydrogen atom or the like, a ring Cy1 represents a six-membered aromatic ring which may have one or more substituents in addition to a group represented by -A-B, a ring Cy2 represents a six-membered ring which may be substituted with a halogen atom or the like, a ring Cy3 represents a five- or six-membered ring which may have one or more substituents; X represents C 1-2 alkylene or the like, m represents an integer of 0 to 2, and a ring Cy4 represents a six-membered aromatic ring which may have one or more substituents.

  提供具有GPR52激动剂活性或其盐的化合物。该化合物可作为预防/治疗精神分裂症等疾病的药物。该化合物由以下公式表示：其中A代表—CONRa—或—NRaCO—，Ra代表氢原子或类似物质，B代表氢原子或类似物质，环Cy1代表一个六元芳香环，除了由-A-B表示的基团外，可能有一个或多个取代基，环Cy2代表一个六元环，可能被卤素原子或类似物质取代，环Cy3代表一个有一个或多个取代基的五元或六元环；X代表C1-2烷基或类似物质，m代表0到2之间的整数，环Cy4代表一个六元芳香环，可能有一个或多个取代基。