2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine | 58137-29-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine
• CAS: 58137-29-4
• 化学式: C₁₇H₂₂N₄O₂
• 分子量: 314.387
• InChiKey: VTDUVDKBMAIMIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 在 potassium carbonate 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine
  参考文献：
  名称：

  Central nervous system active 5-oxo-1,4,5,6,7,8-hexahydrocinnolines

  摘要：

  Among a series of 5-oxo-1,4,5,6,7,8-hexahydrocinnolines examined for their CNS activity, 1-(2-diethylaminoethyl)-3-(p-fluorophenyl)-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydrocinnoline (23) and 1-(2-dimethylaminoethyl)-3-phenyl-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydrocinnoline (27) had sedative and anticonvulsant properties and were also acitve in tests used to characterize antidepressants. But their narrow safety margin precluded further follow-up studies. Derivatives 35-38 of 2-(omega-phenacyl)-3-hydrazino-5,5-dimethyl-2-cyclohexenone were active in tests used to characterize antidepressants and were weakly sedative but not anticonvulsant.

  DOI：

  10.1021/jm00226a012

文献信息

• NAGARAJAN K.; DAVID J.; SHAH R. K., J. MED. CHEM. <JMCM-AR>, 1976, 19, NO 4, 508-511
  作者：NAGARAJAN K.、 DAVID J.、 SHAH R. K.

  DOI：——

  日期：——
• Central nervous system active 5-oxo-1,4,5,6,7,8-hexahydrocinnolines
  作者：Kuppuswamy Nagarajan、Joy David、Rashmi K. Shah

  DOI：10.1021/jm00226a012

  日期：1976.4

  Among a series of 5-oxo-1,4,5,6,7,8-hexahydrocinnolines examined for their CNS activity, 1-(2-diethylaminoethyl)-3-(p-fluorophenyl)-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydrocinnoline (23) and 1-(2-dimethylaminoethyl)-3-phenyl-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydrocinnoline (27) had sedative and anticonvulsant properties and were also acitve in tests used to characterize antidepressants. But their narrow safety margin precluded further follow-up studies. Derivatives 35-38 of 2-(omega-phenacyl)-3-hydrazino-5,5-dimethyl-2-cyclohexenone were active in tests used to characterize antidepressants and were weakly sedative but not anticonvulsant.