10-(2,5-dihydro-pyrrol-1-yl)-6,7-dimethyl-4H-benzo[b]thieno[3,4-e][1,4]diazepine | 70194-23-9

• 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: 10-(2,5-dihydro-pyrrol-1-yl)-6,7-dimethyl-4H-benzo[b]thieno[3,4-e][1,4]diazepine
• 英文别名: 4-(2,5-dihydropyrrol-1-yl)-7,8-dimethyl-10H-thieno[3,4-b][1,5]benzodiazepine
• CAS: 70194-23-9
• 化学式: C₁₇H₁₇N₃S
• 分子量: 295.408
• InChiKey: PBCBLZCJIJGXER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  27.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  6,7-dimethyl-4,9-dihydro-benzo[b]thieno[3,4-e][1,4]diazepin-10-one 在 氢氧化钾 、 tetraphosphorus decasulfide 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 吡啶 、 甲醇 、 xylene 为溶剂， 生成 10-(2,5-dihydro-pyrrol-1-yl)-6,7-dimethyl-4H-benzo[b]thieno[3,4-e][1,4]diazepine
  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