8-Chloro-1-methyl-4-pyrrolidin-1-yl-6H-2,3,5,10b-tetraaza-benzo[e]azulene | 73268-31-2

• 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: 8-Chloro-1-methyl-4-pyrrolidin-1-yl-6H-2,3,5,10b-tetraaza-benzo[e]azulene
• 英文别名: 8-chloro-1-methyl-4-pyrrolidin-1-yl-6H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• CAS: 73268-31-2
• 化学式: C₁₅H₁₆ClN₅
• 分子量: 301.779
• InChiKey: GJGXJADZIAWFGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-chloro-4,5-dihydro-1-methyl-6H-s-triazolo<4,3-a><1,4>-benzodiazepin-6-thione 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 26.0h， 生成 8-Chloro-1-methyl-4-pyrrolidin-1-yl-6H-2,3,5,10b-tetraaza-benzo[e]azulene
  参考文献：
  名称：

  6-(Substituted-amino)-4H-s-triazolo[4,3-a][1,4]benzodiazepines and 4-(substituted-amino)-6H-s-triazolo[4,3-a][1,4]benzodiazepines with potential antianxiety activity

  摘要：

  A series of 6-(substituted-amino)-4H-s-triazolo[4,3-a][1,4]benzodiazepines was prepared for pharmacological evaluation, and, because of an interesting chemical isomerization, a similar series of 4-(substituted-amino)-6H-s-triazolo[4,3-alpha][1,4]benzodiazepines was also obtained. Pharmacological evaluation of these compounds demonstrated that8-choloro-1-methyl-6-piperidino-4H-s-triazolo[4,3-a][1,4]benzodiazpin e (10) had interesting activity in tests useful for detecting antianxiety activity, while the corresponding 4-piperidino derivative (15) had little activity in these tests. A brief discussion of a possible mechanism for the isomerization is also included.

  DOI：

  10.1021/jm00182a012

文献信息

• HESTER J. B. JR.; VOIGTLAENDER P. VON; EVENSON G. N., J. MED. CHEM., 1980, 23, NO 8, 873-877
  作者：HESTER J. B. JR.、 VOIGTLAENDER P. VON、 EVENSON G. N.

  DOI：——

  日期：——
• US4296239A
  申请人：——

  公开号：US4296239A

  公开（公告）日：1981-10-20
• 6-(Substituted-amino)-4H-s-triazolo[4,3-a][1,4]benzodiazepines and 4-(substituted-amino)-6H-s-triazolo[4,3-a][1,4]benzodiazepines with potential antianxiety activity
  作者：Jackson B. Hester、Philip VonVoigtlander、Gerald N. Evenson

  DOI：10.1021/jm00182a012

  日期：1980.8

  A series of 6-(substituted-amino)-4H-s-triazolo[4,3-a][1,4]benzodiazepines was prepared for pharmacological evaluation, and, because of an interesting chemical isomerization, a similar series of 4-(substituted-amino)-6H-s-triazolo[4,3-alpha][1,4]benzodiazepines was also obtained. Pharmacological evaluation of these compounds demonstrated that8-choloro-1-methyl-6-piperidino-4H-s-triazolo[4,3-a][1,4]benzodiazpin e (10) had interesting activity in tests useful for detecting antianxiety activity, while the corresponding 4-piperidino derivative (15) had little activity in these tests. A brief discussion of a possible mechanism for the isomerization is also included.