[6-氯-5-甲氧基-2-(4-甲基-哌嗪-1-基)-嘧啶-4-基]-甲基-胺 | 102396-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: [6-氯-5-甲氧基-2-(4-甲基-哌嗪-1-基)-嘧啶-4-基]-甲基-胺
• 英文名称: [6-Chloro-5-methoxy-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-methyl-amine
• 英文别名: 6-chloro-5-methoxy-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
• CAS: 102396-28-1
• 化学式: C₁₁H₁₈ClN₅O
• 分子量: 271.75
• InChiKey: KZACHPZOYKEJMT-UHFFFAOYSA-N

物化性质

• 沸点：
  430.0±55.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  53.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲基哌嗪-1-甲脒半硫酸盐 在 sodium methylate 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 40.5h， 生成 [6-氯-5-甲氧基-2-(4-甲基-哌嗪-1-基)-嘧啶-4-基]-甲基-胺
  参考文献：
  名称：

  4-Amino-6-chloro-2-piperazinopyrimidines with selective affinity for .alpha.2-adrenoceptors

  摘要：

  A series of 4-amino-6-chloro-2-piperazinopyrimidines were synthesized and evaluated for their ability to interact with alpha 1- and alpha 2-adrenoceptors in vitro in binding assays using [3H]WB-4101, [3H]clonidine, and [3H]idazoxan as radioligands. Some compounds were also tested as inhibitors of [3H]spiroperidol binding. Several members of this series showed high and selective affinity for alpha 2-adrenoceptors. The nature of the 4-amino substituent seems to be the most critical factor in determining the potency at these receptors.

  DOI：

  10.1021/jm00158a013

文献信息

• 4-Amino-6-chloro-2-piperazinopyrimidines with selective affinity for .alpha.2-adrenoceptors
  作者：Claude Gueremy、Francois Audiau、Christian Renault、Jesus Benavides、Andre Uzan、Gerard Le Fur

  DOI：10.1021/jm00158a013

  日期：1986.8

  A series of 4-amino-6-chloro-2-piperazinopyrimidines were synthesized and evaluated for their ability to interact with alpha 1- and alpha 2-adrenoceptors in vitro in binding assays using [3H]WB-4101, [3H]clonidine, and [3H]idazoxan as radioligands. Some compounds were also tested as inhibitors of [3H]spiroperidol binding. Several members of this series showed high and selective affinity for alpha 2-adrenoceptors. The nature of the 4-amino substituent seems to be the most critical factor in determining the potency at these receptors.