3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol | 1255948-43-6

• 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: 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
• 英文别名: 3-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
• CAS: 1255948-43-6
• 化学式: C₁₁H₁₇ClN₄O
• 分子量: 256.735
• InChiKey: WOUJUKABDXSSEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-乙基苯酚 、 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 3-{4-[3-(4-ethylphenoxy)propyl]piperazin-1-yl}-6-chloropyridazine
  参考文献：
  名称：

  Pharmacophore-based design, synthesis, and biological evaluation of novel chloro-pyridazine piperazines as human rhinovirus (HRV-3) inhibitors

  摘要：

  A series of chloro-pyridazine piperazines were developed based on the structure of human rhinovirus (HRV) capsid-binding inhibitors with proven activity using a pharmacophore model. A preliminary evaluation demonstrated potent activity against HRV-3 with low cytotoxicity. A docking analysis indicated that 8a could fit into, and form tight interactions (e. g., H-bonds, sigma-pi effect) with the active site in VP1. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.001
• 作为产物：
  描述：

  4-(3-羟基丙基)-1-哌嗪羧酸乙酯 在 水 、 sodium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基乙酰胺 为溶剂， 生成 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
  参考文献：
  名称：

  Pharmacophore-based design, synthesis, and biological evaluation of novel chloro-pyridazine piperazines as human rhinovirus (HRV-3) inhibitors

  摘要：

  A series of chloro-pyridazine piperazines were developed based on the structure of human rhinovirus (HRV) capsid-binding inhibitors with proven activity using a pharmacophore model. A preliminary evaluation demonstrated potent activity against HRV-3 with low cytotoxicity. A docking analysis indicated that 8a could fit into, and form tight interactions (e. g., H-bonds, sigma-pi effect) with the active site in VP1. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.001

文献信息

• Pyridazine derivatives and use thereof as medicaments for treating microRNA viral infection
  申请人：Li Song

  公开号：US08846678B2

  公开（公告）日：2014-09-30

  Disclosed are pyridazine derivatives represented by Formula I or pharmaceutically acceptable salts or hydrates thereof, pharmaceutical compositions comprising the compounds, methods of treating and/or preventing diseases or disorders associated with viral infections in patients using the compounds, and the use of the compounds in preparing the medicaments for treating and/or preventing diseases or disorders associated with viral infections. The compounds represented by Formula I have antiviral activity, especially anti-microRNA viral activity. Symbols in the compounds represented are described in the specification.

  本发明涉及由公式I表示的吡嗪衍生物或其药学上可接受的盐或水合物，包含该化合物的制药组合物，使用该化合物治疗和/或预防患有病毒感染相关疾病或障碍的患者的方法，以及使用该化合物制备治疗和/或预防病毒感染相关疾病或障碍的药物。公式I所表示的化合物具有抗病毒活性，特别是抗微RNA病毒活性。所述化合物中的符号在说明书中描述。
• 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
• Pharmacophore-based design, synthesis, and biological evaluation of novel chloro-pyridazine piperazines as human rhinovirus (HRV-3) inhibitors
  作者：Hongliang Wang、Junhai Xiao、Dapeng Gao、Xian Zhang、Hui Yan、Zehui Gong、Tinmin Sun、Song Li

  DOI：10.1016/j.bmcl.2010.12.001

  日期：2011.2

  A series of chloro-pyridazine piperazines were developed based on the structure of human rhinovirus (HRV) capsid-binding inhibitors with proven activity using a pharmacophore model. A preliminary evaluation demonstrated potent activity against HRV-3 with low cytotoxicity. A docking analysis indicated that 8a could fit into, and form tight interactions (e. g., H-bonds, sigma-pi effect) with the active site in VP1. (C) 2010 Elsevier Ltd. All rights reserved.