tert-butyl (R)-4-(1-cyclohexyl-2-(isopropylamino)ethyl)piperazine-1-carboxylate | 1243634-24-3

• 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: tert-butyl (R)-4-(1-cyclohexyl-2-(isopropylamino)ethyl)piperazine-1-carboxylate
• CAS: 1243634-24-3
• 化学式: C₂₀H₃₉N₃O₂
• 分子量: 353.549
• InChiKey: WUXGIANERLPVIM-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  44.81
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-羧基哒嗪 、 tert-butyl (R)-4-(1-cyclohexyl-2-(isopropylamino)ethyl)piperazine-1-carboxylate 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands

  摘要：

  Design, syntheses and structure-activity relationships of N-acetylated piperazine privileged structures containing MC4R agonist compounds were described. The most potent derivatives were low nM MC4R selective full agonists. Several compounds from the series had modest pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.038
• 作为产物：
  描述：

  在 氢气 、 palladium(II) hydroxide 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 tert-butyl (R)-4-(1-cyclohexyl-2-(isopropylamino)ethyl)piperazine-1-carboxylate
  参考文献：
  名称：

  Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands

  摘要：

  Design, syntheses and structure-activity relationships of N-acetylated piperazine privileged structures containing MC4R agonist compounds were described. The most potent derivatives were low nM MC4R selective full agonists. Several compounds from the series had modest pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.038