(+)-1-[2-(1-Acetyl-2,3-dihydro-1H-indol-3-yl)ethyl]-4-(4-methylphenyl)piperazine | 439933-84-3

• 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: (+)-1-[2-(1-Acetyl-2,3-dihydro-1H-indol-3-yl)ethyl]-4-(4-methylphenyl)piperazine
• 英文别名: 1-[3-[2-[4-(4-Methylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
• CAS: 439933-84-3
• 化学式: C₂₃H₂₉N₃O
• 分子量: 363.503
• InChiKey: JEKSUNRNVHPMLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Indoline derivatives
  申请人：H. Lundbeck A/S

  公开号：US20040044007A1

  公开（公告）日：2004-03-04

  The present invention relates to methods of treating psychiatric or neurologic disorders, in particular psychoses, by administration of a compound formula of (I) 1 wherein R 1 is acyl, thioacyl, trifluoromethylsulfonyl or R 1 is a group R 12 SO 2 —, R 12 OCO— or R 12 SCO— wherein R 12 is C 1-6 -alkyl, C 2-6 -alkenyl, C 2-6 -alkynyl, C 3-8 -cycloalkyl, C 3-8 -cycloalkyl-C 1-6 -alkyl or aryl, or R 1 is a group R 13 R 14 NCO, R 13 R 14 NCS—, wherein R 13 and R 14 are independently hydrogen, C 1-6 -alkyl, C 2-6 -alkenyl, C 2-6 -alkynyl, C 3-8 -cycloalkyl, C 3-8 -cycloalkyl-C 1-6 -alkyl or aryl, or R 13 and R 14 together with the N-atom to which they are linked form a pyrrolidinyl, piperidinyl or perhydroazepin group; n is 1-6; X is C, CH or N, and the dotted line emanating from X indicates a bond when X is C and no bond when X is N or CH; R′, R″ and R 2 are independently selected from hydrogen and C 1-6 -alkyl; R 3 -R 11 are independently selected from hydrogen, halogen, cyano, nitro, C 1-6 -alkyl, C 2-6 -alkenyl, C 2-6 -alkynyl, C 3-8 -cycloalkyl, C 3-8 -cycloalkyl-C 1-6 -alkyl, amino, C 1-6 -alkylamino, di-(C 1-6 -alkyl)amino, C 1-6 -alkylcarbonyl, aminocarbonyl, C 1-6 -alkylaminocarbonyl, di-(C 1-6 -alkyl)aminocarbonyl, C 1-6 -alkoxy, C 1-6 -alkylthio, hydroxy, trifluoromethyl, trifluoromethylsulfonyl and C 1-6 -alkylsulfonyl; or a pharmaceutically acceptable acid addition salt thereof.

  本发明涉及通过给予(I)1式化合物的配方治疗精神或神经疾病，特别是精神病，其中R1为酰基，硫酰基，三氟甲基磺酰基，或R1为R12SO2—，R12OCO—或R12SCO—的基团，其中R12为C1-6烷基，C2-6烯基，C2-6炔基，C3-8环烷基，C3-8环烷基-C1-6烷基或芳基，或R1为R13R14NCO，R13R14NCS—的基团，其中R13和R14分别为氢，C1-6烷基，C2-6烯基，C2-6炔基，C3-8环烷基，C3-8环烷基-C1-6烷基或芳基，或R13和R14与它们连接的N原子一起形成吡咯烷基，哌啶基或过氢杂环庚烷基；n为1-6；X为C，CH或N，从X发出的点线表示当X为C时为一条键，当X为N或CH时为无键；R′，R″和R2独立选择自氢和C1-6烷基；R3-R11独立选择自氢，卤素，氰基，硝基，C1-6烷基，C2-6烯基，C2-6炔基，C3-8环烷基，C3-8环烷基-C1-6烷基，氨基，C1-6烷基氨基，二-(C1-6烷基)氨基，C1-6烷基羰基，氨基羰基，C1-6烷基氨基羰基，二-(C1-6烷基)氨基羰基，C1-6烷氧基，C1-6烷基硫基，羟基，三氟甲基，三氟甲基磺酰基和C1-6烷基磺酰基；或其药学上可接受的酸盐。