4-苯基哌嗪-1-羧酸乙酯 | 189251-55-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-苯基哌嗪-1-羧酸乙酯
• 英文名称: Ethyl 4-phenacyl-1-piperazincarboxylat
• 英文别名: 1-Piperazinecarboxylic acid, 4-(2-oxo-2-phenylethyl)-, ethyl ester；ethyl 4-phenacylpiperazine-1-carboxylate
• CAS: 189251-55-6
• 化学式: C₁₅H₂₀N₂O₃
• 分子量: 276.335
• InChiKey: JPIATYLMBQEIQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-苯基哌嗪-1-羧酸乙酯 在 氢氧化钾 、 sodium tetrahydroborate 、 氯化亚砜 作用下， 以 乙醇 、 二氯甲烷 、 苯 为溶剂， 生成 1-Methyl-4-(1-phenyl-2-piperazin-1-ylethyl)piperazine
  参考文献：
  名称：

  Structure−Activity Relationship of (1-Aryl-2-piperazinylethyl)piperazines:  Antagonists for the AGRP/Melanocortin Receptor Binding

  摘要：

  Agouti-related protein (AGRP) is an endogenous antagonist of the melanocortin action.(1) In the hypothalamus, melanocortin peptide agonists act as satiety-inducing factors that mediate their action through the melanocortin-4 receptor (MC4R) whereas AGRP is an opposing orexigenic agent. Novel inhibitors of the AGRP/MC4 binding based on (piperazinylethyl)piperazines were prepared, and their structure-activity relationship was established.

  DOI：

  10.1021/jm0255522
• 作为产物：
  描述：

  N-哌嗪甲酸乙酯 、 2-溴苯乙酮 在 TEA 作用下， 以 二氯甲烷 为溶剂， 生成 4-苯基哌嗪-1-羧酸乙酯
  参考文献：
  名称：

  Structure−Activity Relationship of (1-Aryl-2-piperazinylethyl)piperazines:  Antagonists for the AGRP/Melanocortin Receptor Binding

  摘要：

  Agouti-related protein (AGRP) is an endogenous antagonist of the melanocortin action.(1) In the hypothalamus, melanocortin peptide agonists act as satiety-inducing factors that mediate their action through the melanocortin-4 receptor (MC4R) whereas AGRP is an opposing orexigenic agent. Novel inhibitors of the AGRP/MC4 binding based on (piperazinylethyl)piperazines were prepared, and their structure-activity relationship was established.

  DOI：

  10.1021/jm0255522

文献信息

• Moehrle; Azodi, Pharmazie, 2006, vol. 61, # 10, p. 815 - 822
  作者：Moehrle、Azodi

  DOI：——

  日期：——