3,6-dichloro-4-(4-(2-chloroethyl)piperazin-1-yl)pyridazine | 1133971-56-8

• 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: 3,6-dichloro-4-(4-(2-chloroethyl)piperazin-1-yl)pyridazine
• 英文别名: 3,6-Dichloro-4-[4-(2-chloroethyl)piperazin-1-yl]pyridazine
• CAS: 1133971-56-8
• 化学式: C₁₀H₁₃Cl₃N₄
• 分子量: 295.599
• InChiKey: GJUAORHRRPULDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-羟基苯基)-1,2,4-三唑 、 3,6-dichloro-4-(4-(2-chloroethyl)piperazin-1-yl)pyridazine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以45.6%的产率得到4-(4-(2-(4-(4H-1,2,4-triazol-4-yl)phenoxy)ethyl)piperazin-1-yl)-3,6-dichloropyridazine
  参考文献：
  名称：

  Synthesis and evaluation of novel chloropyridazine derivatives as potent human rhinovirus (HRV) capsid-binding inhibitors

  摘要：

  Human rhinovirus (HRV) is the most important etiologic agent causing common colds. No effective anti-HRV agents are currently available. In this paper we describe the synthesis and the evaluation of novel chloropyridazine derivatives (compounds 5a-g) as potent human rhinovirus (HRV) capsid-binding inhibitors. Results showed that compound 5e and 5f exhibited effective anti-HRV activity against HRV-2 and HRV-14. In addition, compound 5e and 5f showed lower cytotoxicity than Pirodavir. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.061
• 作为产物：
  描述：

  2-(4-(3,6-dichloropyridazin-4-yl)piperazin-1-yl)ethanol 在 氯化亚砜 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 8.0h， 以74.3%的产率得到3,6-dichloro-4-(4-(2-chloroethyl)piperazin-1-yl)pyridazine
  参考文献：
  名称：

  Synthesis and evaluation of novel chloropyridazine derivatives as potent human rhinovirus (HRV) capsid-binding inhibitors

  摘要：

  Human rhinovirus (HRV) is the most important etiologic agent causing common colds. No effective anti-HRV agents are currently available. In this paper we describe the synthesis and the evaluation of novel chloropyridazine derivatives (compounds 5a-g) as potent human rhinovirus (HRV) capsid-binding inhibitors. Results showed that compound 5e and 5f exhibited effective anti-HRV activity against HRV-2 and HRV-14. In addition, compound 5e and 5f showed lower cytotoxicity than Pirodavir. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.061