4-[2-（3-氯苯基）-2-氧乙基]四氢-1（2H）-吡嗪羧酸乙酯 | 486439-06-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-[2-（3-氯苯基）-2-氧乙基]四氢-1（2H）-吡嗪羧酸乙酯
• 英文名称: Ethyl 4-[2-(3-chlorophenyl)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxylate
• 英文别名: ethyl 4-[2-(3-chlorophenyl)-2-oxoethyl]piperazine-1-carboxylate
• CAS: 486439-06-9
• 化学式: C₁₅H₁₉ClN₂O₃
• 分子量: 310.78
• InChiKey: NPTVCDHDIDSERR-UHFFFAOYSA-N

物化性质

• 熔点：
  80-82°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 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

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  4-[2-（3-氯苯基）-2-氧乙基]四氢-1（2H）-吡嗪羧酸乙酯 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-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
  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-3-氯苯乙酮 在 TEA 作用下， 以 二氯甲烷 为溶剂， 生成 4-[2-（3-氯苯基）-2-氧乙基]四氢-1（2H）-吡嗪羧酸乙酯
  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

• Structure−Activity Relationship of (1-Aryl-2-piperazinylethyl)piperazines:  Antagonists for the AGRP/Melanocortin Receptor Binding
  作者：Premilla N. Arasasingham、Christopher Fotsch、Xiaohu Ouyang、Mark H. Norman、Michael G. Kelly、Kevin L. Stark、Bill Karbon、Clarence Hale、James W. Baumgartner、Martha Zambrano、Janet Cheetham、Nuria A. Tamayo

  DOI：10.1021/jm0255522

  日期：2003.1.1

  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.