2-(4-Chloro-phenyl)-9-methyl-5,9-dihydro-2H-1,2,5,8,9-pentaaza-dicyclopenta[a,h]naphthalen-3-one | 128056-53-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 2-(4-Chloro-phenyl)-9-methyl-5,9-dihydro-2H-1,2,5,8,9-pentaaza-dicyclopenta[a,h]naphthalen-3-one
• CAS: 128056-53-1
• 化学式: C₁₈H₁₂ClN₅O
• 分子量: 349.779
• InChiKey: XSPVKAQHKPJJAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  25.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  68.5
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  diethyl <methylene>malonate 在 三氯氧磷 作用下， 以 xylene 为溶剂， 反应 8.0h， 生成 2-(4-Chloro-phenyl)-9-methyl-5,9-dihydro-2H-1,2,5,8,9-pentaaza-dicyclopenta[a,h]naphthalen-3-one
  参考文献：
  名称：

  Synthesis and evaluation of a series of aryl[e]fused pyrazolo[4,3-c]pyridines with potential anxiolytic activity

  摘要：

  A series of pyrazolo[4,3-c]pyridines has been synthesized and evaluated as potential anxiolytic agents. Selected compounds from this series show a pharmacological profile of action different from that of diazepam. A number of the compounds possess higher affinity for central benzodiazepine receptors than diazepam, yet show less anticonvulsant activity and are less sedative. The structure-activity relationships of these potential anxiolytic agents are discussed.

  DOI：

  10.1021/jm00171a046

文献信息

• FORBES, IAN T.;JOHNSON, CHRISTOPHER N.;JONES, GRAHAM E.;LOUDON, JULIA;NIC+, J. MED. CHEM., 33,(1990) N, C. 2640-2645
  作者：FORBES, IAN T.、JOHNSON, CHRISTOPHER N.、JONES, GRAHAM E.、LOUDON, JULIA、NIC+

  DOI：——

  日期：——