4-(4-(2-(4-(4H-1,2,4-triazol-4-yl)phenoxy)ethyl)piperazin-1-yl)-3,6-dichloropyridazine | 1133971-54-6

• 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: 4-(4-(2-(4-(4H-1,2,4-triazol-4-yl)phenoxy)ethyl)piperazin-1-yl)-3,6-dichloropyridazine
• 英文别名: 3,6-Dichloro-4-[4-[2-[4-(1,2,4-triazol-4-yl)phenoxy]ethyl]piperazin-1-yl]pyridazine
• CAS: 1133971-54-6
• 化学式: C₁₈H₁₉Cl₂N₇O
• 分子量: 420.301
• InChiKey: WKCBJEPYFRLOHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  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

文献信息

• Synthesis and evaluation of novel chloropyridazine derivatives as potent human rhinovirus (HRV) capsid-binding inhibitors
  作者：Shi-Yong Fan、Zhi-Bing Zheng、Chun-Lai Mi、Xin-Bo Zhou、Hui Yan、Ze-Hui Gong、Song Li

  DOI：10.1016/j.bmc.2008.11.061

  日期：2009.1

  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.