Ethyl 8-chloro-5,6-dihydro-6-thioxo-4H-imidazo-[1,5-a]-[1,4]benzodiazepine-3-carboxylate | 147005-23-0

• 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: Ethyl 8-chloro-5,6-dihydro-6-thioxo-4H-imidazo-[1,5-a]-[1,4]benzodiazepine-3-carboxylate
• 英文别名: Ethyl 8-chloro-6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
• CAS: 147005-23-0
• 化学式: C₁₄H₁₂ClN₃O₂S
• 分子量: 321.787
• InChiKey: YIERAQQIQLHGQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 8-chloro-5,6-dihydro-6-thioxo-4H-imidazo-[1,5-a]-[1,4]benzodiazepine-3-carboxylate 在 吡啶 、 ammonium hydroxide 、 sodium hydroxide 、 盐酸羟胺 、 碳酸氢钠 、 溶剂黄146 、 N,N'-羰基二咪唑 、 三氟乙酸酐 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 91.0h， 生成
  参考文献：
  名称：

  New Tetracyclic Derivatives of Imidazo[1,5-a][1,4]benzodiazepines and of Imidazo[1,5-a]-thieno[3,2-f][1,4]-diazepines

  摘要：

  The synthesis of new tetracyclic 1,4-diazepine derivatives is described. In these compounds, an additional five-membered heterocycle is fused on the known tricyclic ring systems imidazo[1,5-a][1,4]benzodiazepine and imidazo[1,5-a]thieno[3,2-f][1,4]diazepine. Many of these new compounds display a very high affinity to the benzodiazepine receptor in mammals.

  DOI：

  10.3987/com-94-s(b)61
• 作为产物：
  描述：

  ethyl 12-chloro-9-oxo-2,4, 8-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate 在 劳森试剂 、 吡啶 作用下， 反应 95.0h， 以83%的产率得到Ethyl 8-chloro-5,6-dihydro-6-thioxo-4H-imidazo-[1,5-a]-[1,4]benzodiazepine-3-carboxylate
  参考文献：
  名称：

  New Tetracyclic Derivatives of Imidazo[1,5-a][1,4]benzodiazepines and of Imidazo[1,5-a]-thieno[3,2-f][1,4]-diazepines

  摘要：

  The synthesis of new tetracyclic 1,4-diazepine derivatives is described. In these compounds, an additional five-membered heterocycle is fused on the known tricyclic ring systems imidazo[1,5-a][1,4]benzodiazepine and imidazo[1,5-a]thieno[3,2-f][1,4]diazepine. Many of these new compounds display a very high affinity to the benzodiazepine receptor in mammals.

  DOI：

  10.3987/com-94-s(b)61

文献信息

• Imidazodiazepine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05387585A1

  公开（公告）日：1995-02-07

  The novel imidazodiazepine derivatives of the formula: ##STR1## wherein the substituents are as described in the specification, can be used for the control or prevention of epileptic seizures, anxiety, tension and excitation states, sleep disorders, schizophrenic symptoms, hepatic encephalopathy and senile dementia, as well as, in the partial or complete antagonization of undesired side-effects of substances acting on benzodiazepine receptors after over-dosage or after their use in intensive medicine and in anesthesia.

  翻译结果如下： 所述的咪唑二氮䓬衍生物的公式为：##STR1##，其中取代基如说明书中所述，可用于控制或预防癫痫发作、焦虑、紧张和兴奋状态、睡眠障碍、精神分裂症症状、肝性脑病和老年痴呆症，以及部分或完全拮抗在过量使用或在其在重症医学和麻醉中使用后作用于苯二氮䓬受体的物质的副作用。
• US5387585A
  申请人：——

  公开号：US5387585A

  公开（公告）日：1995-02-07
• New Tetracyclic Derivatives of Imidazo[1,5-a][1,4]benzodiazepines and of Imidazo[1,5-a]-thieno[3,2-f][1,4]-diazepines
  作者：Max Gerecke、Emilio Kyburz、René Boner、Walter Gassner

  DOI：10.3987/com-94-s(b)61

  日期：——

  The synthesis of new tetracyclic 1,4-diazepine derivatives is described. In these compounds, an additional five-membered heterocycle is fused on the known tricyclic ring systems imidazo[1,5-a][1,4]benzodiazepine and imidazo[1,5-a]thieno[3,2-f][1,4]diazepine. Many of these new compounds display a very high affinity to the benzodiazepine receptor in mammals.