(R)-4-(6-Amino-quinolin-4-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester | 338797-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (R)-4-(6-Amino-quinolin-4-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
• CAS: 338797-23-2
• 化学式: C₁₉H₂₆N₄O₂
• 分子量: 342.441
• InChiKey: CNUQRIUSSNIYMR-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  25.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  71.69
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-4-(6-Amino-quinolin-4-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester 在 吡啶 、 盐酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 25.5h， 生成 5-chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [4-((R)-3-methyl-piperazin-1-yl)-quinolin-6-yl]amide
  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 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 120.0h， 生成 (R)-4-(6-Amino-quinolin-4-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
  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