2-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone

• 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: 2-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone
• 英文别名: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
• 化学式: C₂₃H₂₉N₃O₂
• 分子量: 379.502
• InChiKey: DSNCXRXGMZSRBV-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (R)-N-(tert-butoxycarbonyl)-2-methylindoline 在 TEA 、 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 氯仿 、 乙腈 为溶剂， 反应 19.0h， 生成 2-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone
  参考文献：
  名称：

  Indoline and piperazine containing derivatives as a novel class of mixed D2/D4 receptor antagonists. Part 2: Asymmetric synthesis and biological evaluation

  摘要：

  A series of chiral benzylpiperazinyl-1-(2,3-dihydro-indol-1-yl)ethanone derivatives were prepared and examined for their affinity at dopamine D-2 and D-4 receptors. Three compounds having D-2/D-4 affinity ratios approximating that found for the atypical neuroleptic clozapine were further evaluated in behavioral tests of antipsychotic efficacy and motor side effects. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00656-x

文献信息

• Indoline and piperazine containing derivatives as a novel class of mixed D2/D4 receptor antagonists. Part 2: Asymmetric synthesis and biological evaluation
  作者：He Zhao、Xiaoshu He、Andrew Thurkauf、Diane Hoffman、Andrzej Kieltyka、Robbin Brodbeck、Renee Primus、Jan W.F Wasley

  DOI：10.1016/s0960-894x(02)00656-x

  日期：2002.11

  A series of chiral benzylpiperazinyl-1-(2,3-dihydro-indol-1-yl)ethanone derivatives were prepared and examined for their affinity at dopamine D-2 and D-4 receptors. Three compounds having D-2/D-4 affinity ratios approximating that found for the atypical neuroleptic clozapine were further evaluated in behavioral tests of antipsychotic efficacy and motor side effects. (C) 2002 Elsevier Science Ltd. All rights reserved.