Ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate | 486439-15-0

• 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: Ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
• CAS: 486439-15-0
• 化学式: C₂₅H₃₉FN₄O₂
• 分子量: 446.609
• InChiKey: IBEQAKQMHXKDND-UHFFFAOYSA-N

物化性质

• 沸点：
  527.0±50.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  39.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 1-Cyclohexyl-4-[1-(4-fluorophenyl)-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：

  2-溴-4'-氟苯乙酮 在 sodium tetrahydroborate 、 氯化亚砜 、 TEA 作用下， 以 乙醇 、 二氯甲烷 、 苯 为溶剂， 生成 Ethyl 4-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
  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