5-benzyl-2-cyclohexyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-one | 1000376-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-benzyl-2-cyclohexyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-one
• 英文别名: 5-benzyl-2-cyclohexylpyrazolo[4,3-c]quinolin-3-one
• CAS: 1000376-85-1
• 化学式: C₂₃H₂₃N₃O
• 分子量: 357.455
• InChiKey: VZTNOHFMVINHMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-cyclohexyl-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one 、 氯化苄 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 5-benzyl-2-cyclohexyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-one
  参考文献：
  名称：

  New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists

  摘要：

  A series of new 1,8-naphthyridine and quinoline derivatives were synthesized and evaluated for their cannabinoid receptor affinity. In particular, compounds 2, 5, 11, and 13 showed a high CB2 affinity and CB2 versus CB1 selectivity, in agreement with molecular modeling studies. Furthermore, compound 2 also exhibited in vivo antinociceptive effects. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.089

文献信息

• New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists
  作者：Clementina Manera、Maria Grazia Cascio、Veronica Benetti、Marco Allarà、Tiziano Tuccinardi、Adriano Martinelli、Giuseppe Saccomanni、Elisa Vivoli、Carla Ghelardini、Vincenzo Di Marzo、Pier Luigi Ferrarini

  DOI：10.1016/j.bmcl.2007.09.089

  日期：2007.12

  A series of new 1,8-naphthyridine and quinoline derivatives were synthesized and evaluated for their cannabinoid receptor affinity. In particular, compounds 2, 5, 11, and 13 showed a high CB2 affinity and CB2 versus CB1 selectivity, in agreement with molecular modeling studies. Furthermore, compound 2 also exhibited in vivo antinociceptive effects. (c) 2007 Elsevier Ltd. All rights reserved.