4,6-二氯-2-(4-甲基-哌嗪-1-基)-嘧啶 | 84727-44-6

• 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: 4,6-二氯-2-(4-甲基-哌嗪-1-基)-嘧啶
• 英文名称: 4,6-dichloro-2-(N-methylpiperazino)pyrimidine
• 英文别名: 4,6-Dichloro-2-(4-methylpiperazin-1-yl)pyrimidine
• CAS: 84727-44-6
• 化学式: C₉H₁₂Cl₂N₄
• 分子量: 247.127
• InChiKey: UBRWZYMADXHXCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4,6-二氯-2-(4-甲基-哌嗪-1-基)-嘧啶 生成 6-chloro-4(methylamino)-2-(N-methylpiperazino)pyrimidine
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  4,6-dihydroxy-2-(N-methylpiperazino)pyrimidine 在 三氯氧磷 作用下， 反应 3.0h， 以13.6%的产率得到4,6-二氯-2-(4-甲基-哌嗪-1-基)-嘧啶
  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

• ——
  作者：

  DOI：——

  日期：——
• 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：——
• 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.