(S)-6-Isopropyl-piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester 2-methyl ester | 363191-97-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-6-Isopropyl-piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester 2-methyl ester
• 英文别名: 1-O,4-O-ditert-butyl 2-O-methyl (2S)-6-propan-2-ylpiperazine-1,2,4-tricarboxylate
• CAS: 363191-97-3
• 化学式: C₁₉H₃₄N₂O₆
• 分子量: 386.489
• InChiKey: QHAWQRSLBZZQMM-KZUDCZAMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  85.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-6-Isopropyl-piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester 2-methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以53%的产率得到N,N-Di-Boc-6-isopropyl-(S)-piperazine-2-carboxylic acid
  参考文献：
  名称：

  2-Piperazinecarboxamides as potent and selective melanocortin subtype-4 receptor agonists

  摘要：

  We report the discovery and optimization of substituted 2-piperazinecarboxamides as potent and selective agonists of the melanocortin subtype-4 receptor. The 5- and 6-alkylated piperazine compounds exhibit low bioactivation potential as measured by covalent binding in microsome preparations. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.068
• 作为产物：
  描述：

  methyl (2S)-3-[(3-methyl-2-oxobutyl)amino]-2-(phenylmethoxycarbonylamino)propanoate 在 palladium on activated charcoal TEA 、 氢气 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 (S)-6-Isopropyl-piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester 2-methyl ester
  参考文献：
  名称：

  2-Piperazinecarboxamides as potent and selective melanocortin subtype-4 receptor agonists

  摘要：

  We report the discovery and optimization of substituted 2-piperazinecarboxamides as potent and selective agonists of the melanocortin subtype-4 receptor. The 5- and 6-alkylated piperazine compounds exhibit low bioactivation potential as measured by covalent binding in microsome preparations. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.068