ethyl 4-(2-(1-(3-chloropyridazin-4-yl)piperidin-4-yl)ethoxy)benzoate | 1133971-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-(2-(1-(3-chloropyridazin-4-yl)piperidin-4-yl)ethoxy)benzoate
• 英文别名: Ethyl 4-[2-[1-(3-chloropyridazin-4-yl)piperidin-4-yl]ethoxy]benzoate
• CAS: 1133971-53-5
• 化学式: C₂₀H₂₄ClN₃O₃
• 分子量: 389.882
• InChiKey: HQSRBEJHZYCHDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  过氧化氢酶 、 2-(1-(3-chloropyridazin-4-yl)piperidin-4-yl)ethanol 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以42.3%的产率得到ethyl 4-(2-(1-(3-chloropyridazin-4-yl)piperidin-4-yl)ethoxy)benzoate
  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

• PYRIDAZINE DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR TREATING MICRORNA VIRAL INFECTION
  申请人：Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China

  公开号：EP2602252B1

  公开（公告）日：2016-05-04
• US8846678B2
  申请人：——

  公开号：US8846678B2

  公开（公告）日：2014-09-30
• US9522891B2
  申请人：——

  公开号：US9522891B2

  公开（公告）日：2016-12-20
• 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.