7-chloro-10-(4'-methyl-1'-piperazinyl)-4H-thieno[3,4-b][1,5]benzodiazepine | 59681-54-8

• 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: 7-chloro-10-(4'-methyl-1'-piperazinyl)-4H-thieno[3,4-b][1,5]benzodiazepine
• 英文别名: 7-chloro-10-(4-methyl-piperazin-1-yl)-4H-benzo[b]thieno[3,4-e][1,4]diazepine；7-Chloro-10-(4-methyl-1-piperazinyl)-4H-thieno[3,4-b][1,5]-benzodiazepine；7-chloro-10-(4-methyl-1-piperazinyl)-4H-thieno[3,4-b][1,5]benzodiazepine；4H-Thieno(3,4-b)(1,5)benzodiazepine, 7-chloro-10-(4-methyl-1-piperazinyl)-；7-chloro-4-(4-methylpiperazin-1-yl)-10H-thieno[3,4-b][1,5]benzodiazepine
• CAS: 59681-54-8
• 化学式: C₁₆H₁₇ClN₄S
• 分子量: 332.857
• InChiKey: KOCCKIVKQCCVIN-UHFFFAOYSA-N

物化性质

• 熔点：
  168-169 °C(Solv: ligroine (8032-32-4))
• 沸点：
  497.1±55.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  4

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 、 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 7-chloro-10-(4'-methyl-1'-piperazinyl)-4H-thieno[3,4-b][1,5]benzodiazepine
  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

• Substituted benzodiazepines and method of use
  申请人：American Cyanamid Company

  公开号：US04087421A1

  公开（公告）日：1978-05-02

  10-Substituted amino-4,9-dihydro-4H-thieno[3,4-b][1,5]benzodiazepines having neuroleptic, anti-depressant and analgesic activity.

  具有神经阻滞、抗抑郁和镇痛活性的10-取代氨基-4,9-二氢-4H-噻吩[3,4-b][1,5]苯二氮杂环己烷。
• CHAKRABARTI J. K.; FAIRHURST J.; GUTTERIDGE J. A.; HORSMAN L.; PULLAR I. +, J. MED. CHEM., 1980, 23, NO 8, 884-889
  作者：CHAKRABARTI J. K.、 FAIRHURST J.、 GUTTERIDGE J. A.、 HORSMAN L.、 PULLAR I. +

  DOI：——

  日期：——
• US4087421A
  申请人：——

  公开号：US4087421A

  公开（公告）日：1978-05-02
• US4115568A
  申请人：——

  公开号：US4115568A

  公开（公告）日：1978-09-19
• US4115574A
  申请人：——

  公开号：US4115574A

  公开（公告）日：1978-09-19