tert-butyl (2R,5S)-2,5-dimethyl-4-(6-nitroquinolin-4-yl)piperazine-1-carboxylate | 745020-31-9

• 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: tert-butyl (2R,5S)-2,5-dimethyl-4-(6-nitroquinolin-4-yl)piperazine-1-carboxylate
• CAS: 745020-31-9
• 化学式: C₂₀H₂₆N₄O₄
• 分子量: 386.451
• InChiKey: WRKOTJIRFGTYEI-UONOGXRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (2R,5S)-2,5-dimethyl-4-(6-nitroquinolin-4-yl)piperazine-1-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 tert-butyl (2R,5S)-4-(6-aminoquinolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate
  参考文献：
  名称：

  Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT6 receptor

  摘要：

  The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinites for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high afffinity (pK(i) > 8) for the 5-HT6 receptor and > 100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00558-3
• 作为产物：
  描述：

  4-氯-6-硝基喹啉 在 potassium carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 96.0h， 生成 tert-butyl (2R,5S)-2,5-dimethyl-4-(6-nitroquinolin-4-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT6 receptor

  摘要：

  The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinites for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high afffinity (pK(i) > 8) for the 5-HT6 receptor and > 100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00558-3