ethyl 5,6-dihydro-6-thioxo-4H-imidazo<1,5-a><1,4>benzodiazepine-3-carboxylate | 147005-22-9

• 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: ethyl 5,6-dihydro-6-thioxo-4H-imidazo<1,5-a><1,4>benzodiazepine-3-carboxylate
• 英文别名: ethyl 5,6-dihydro-6-thioxo-4H-imidazo-[1,5-a][1,4]benzodiazepine-3-carboxylate；ethyl 6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
• CAS: 147005-22-9
• 化学式: C₁₄H₁₃N₃O₂S
• 分子量: 287.342
• InChiKey: HTMYORIIBDGUIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 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 5,6-dihydro-6-thioxo-4H-imidazo<1,5-a><1,4>benzodiazepine-3-carboxylate 在 sodium hydroxide 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 38.0h， 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 5,6-dihydro-6-oxo-4H-imidazo<1,5-a>benzodiazepine-3-carboxylate 在 劳森试剂 、 吡啶 作用下， 反应 48.0h， 以63.5%的产率得到ethyl 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.

  这段话的中文翻译如下： 公式为：##STR1##的新型咪唑二氮平衍生物，其中取代基如规范中所述，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、精神分裂症状、肝性脑病和老年痴呆症，以及在过量使用或在密集医学和麻醉中使用后，部分或完全对作用于苯二氮平受体的物质产生的不良副作用进行拮抗。
• 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.