(1R,3R)-1-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)-9-(piperidin-4-ylmethyl)-2,3-dihydro-1H-carbazol-4-one | 882034-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (1R,3R)-1-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)-9-(piperidin-4-ylmethyl)-2,3-dihydro-1H-carbazol-4-one
• CAS: 882034-04-0
• 化学式: C₂₉H₃₅ClN₄O₂
• 分子量: 507.075
• InChiKey: JJJYHZWMXCJWRV-CLJLJLNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-chlorophenoxy)-2,3,4,9-tetrahydro-1H-carbazole 在 sodium hydride 、 potassium carbonate 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 13.5h， 生成 (1R,3R)-1-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)-9-(piperidin-4-ylmethyl)-2,3-dihydro-1H-carbazol-4-one
  参考文献：
  名称：

  Synthesis and SAR of substituted tetrahydrocarbazole derivatives as new NPY-1 antagonists

  摘要：

  The SAR of a new series of tetrahydrocarbazole derivatives is described: the appropriate decoration of this template led to the identification of a new class of NPY-1 antagonists showing good in vitro potency and a promising in vivo pharmacokinetic profile in rat. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.104

文献信息

• Synthesis and SAR of substituted tetrahydrocarbazole derivatives as new NPY-1 antagonists
  作者：Romano Di Fabio、Riccardo Giovannini、Barbara Bertani、Manuela Borriello、Andrea Bozzoli、Daniele Donati、Alessandro Falchi、Damiano Ghirlanda、Colin P. Leslie、Angelo Pecunioso、Giovanna Rumboldt、Simone Spada

  DOI：10.1016/j.bmcl.2005.11.104

  日期：2006.3

  The SAR of a new series of tetrahydrocarbazole derivatives is described: the appropriate decoration of this template led to the identification of a new class of NPY-1 antagonists showing good in vitro potency and a promising in vivo pharmacokinetic profile in rat. (C) 2005 Elsevier Ltd. All rights reserved.