6-chloro-2-(N-formylpiperazino)-4-(isopropylamino)-5-(methylthio)pyrimidine | 84727-82-2

• 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: 6-chloro-2-(N-formylpiperazino)-4-(isopropylamino)-5-(methylthio)pyrimidine
• 英文别名: 4-[4-chloro-5-methylsulfanyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
• CAS: 84727-82-2
• 化学式: C₁₃H₂₀ClN₅OS
• 分子量: 329.854
• InChiKey: CGAOGYNOTJTOOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  61.36
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-chloro-2-(N-formylpiperazino)-4-(isopropylamino)-5-(methylthio)pyrimidine 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 以37.1%的产率得到6-chloro-4-(isopropylamino)-5-(methylthio)-2-piperazinopyrimidine
  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
• 作为产物：
  描述：

  1-甲醛基 -4-甲基哌嗪 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 6-chloro-2-(N-formylpiperazino)-4-(isopropylamino)-5-(methylthio)pyrimidine
  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

• GUEREMY C.; AUDIAU F.; RENAULT CH.; BENAVIDES J.; UZAN A.; LE FUR G., J. MED. CHEM., 29,(1986) N 8, 1394-1398
  作者：GUEREMY C.、 AUDIAU F.、 RENAULT CH.、 BENAVIDES J.、 UZAN A.、 LE FUR G.

  DOI：——

  日期：——