2-[4-(4H-benzo[b]thieno[3,4-e][1,4]diazepin-10-yl)-piperazin-1-yl]-ethanol | 70194-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 2-[4-(4H-benzo[b]thieno[3,4-e][1,4]diazepin-10-yl)-piperazin-1-yl]-ethanol
• 英文别名: 10-[4-(2-Hydroxyethyl)-1-piperazinyl]-4H-thieno[3,4-b][1,5]benzodiazepine；2-[4-(10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol
• CAS: 70194-18-2
• 化学式: C₁₇H₂₀N₄OS
• 分子量: 328.438
• InChiKey: DIUWEUYKNKHBOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氧四氢噻酚-3-羧酸甲酯 在 氢氧化钾 、 N-氯代丁二酰亚胺 、 tetraphosphorus decasulfide 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 吡啶 、 甲醇 、 甲苯 、 xylene 为溶剂， 生成 2-[4-(4H-benzo[b]thieno[3,4-e][1,4]diazepin-10-yl)-piperazin-1-yl]-ethanol
  参考文献：
  名称：

  10-(Alkylamino)-4H-thieno[3,4-b][1,5]benzodiazepines. A novel class of potential neuroleptic agents

  摘要：

  An investigation of the structural requirements for CNS activity of the title compounds was undertaken. A synthesis of the precursor dihydro-10H-thieno[3,4-b][1,5]benzodiazepin-10-ones was achieved and three routes for their conversion to the title compounds were developed. The compounds were tested for neuroleptic activity by means of the blockade or d-amphetamine lethality in aggregated mice and/or effects on locomotor activity in rats. Antidepressant activity was examined using inhibition of tetrabenazine-induced depression in mice. Most of the compounds were found to be potent neuroleptic agents with several exhibiting additional antidepressant activity.

  DOI：

  10.1021/jm00192a020

文献信息

• US3951981A
  申请人：——

  公开号：US3951981A

  公开（公告）日：1976-04-20
• US4087421A
  申请人：——

  公开号：US4087421A

  公开（公告）日：1978-05-02
• 10-(Alkylamino)-4H-thieno[3,4-b][1,5]benzodiazepines. A novel class of potential neuroleptic agents
  作者：Jeffrey B. Press、Corris M. Hofmann、Nancy H. Eudy、William J. Fanshawe、Ivana P. Day、Eugene N. Greenblatt、Sidney R. Safir

  DOI：10.1021/jm00192a020

  日期：1979.6

  An investigation of the structural requirements for CNS activity of the title compounds was undertaken. A synthesis of the precursor dihydro-10H-thieno[3,4-b][1,5]benzodiazepin-10-ones was achieved and three routes for their conversion to the title compounds were developed. The compounds were tested for neuroleptic activity by means of the blockade or d-amphetamine lethality in aggregated mice and/or effects on locomotor activity in rats. Antidepressant activity was examined using inhibition of tetrabenazine-induced depression in mice. Most of the compounds were found to be potent neuroleptic agents with several exhibiting additional antidepressant activity.