4-chloro-5-(4-methyl-piperazin-1-yl)-pyridazin-3(2H)-one | 947-83-1

• 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-chloro-5-(4-methyl-piperazin-1-yl)-pyridazin-3(2H)-one
• 英文别名: 4-chloro-5-(4-methyl-piperazin-1-yl)-2H-pyridazin-3-one；4-Chlor-5-(4-methyl-piperazino)-3-oxo-2,3-dihydro-pyridazin；4-chloro-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-olate
• CAS: 947-83-1
• 化学式: C₉H₁₃ClN₄O
• mdl: MFCD02325244
• 分子量: 228.681
• InChiKey: IIBKADIDGYNEAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-5-(4-methyl-piperazin-1-yl)-pyridazin-3(2H)-one 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 24.5h， 生成 4-Chloro-2-[5-[5-chloro-4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-6-oxopyridazin-1-yl]pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
  参考文献：
  名称：

  Synthesis and α1-antagonist activity of derivatives of 4-chloro-5-{4-[2-(2-methoxyphenoxy)-ethyl]-1-piperazinyl}-3(2H)-pyridazinone

  摘要：

  The synthesis and evaluation of the biological activity of new 4-chloro-5-{4-[2-(2-methoxyphenoxy)-ethyl]-1-piperazinyl}-3(2H)-pyridazinone derivatives are reported. The blocking activity of these compounds was determined on the pre- and postsynaptic alpha-adrenoceptors of isolated rat vas deferens. (C) 2000 Editions scientifiques et medicles Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)00161-6
• 作为产物：
  描述：

  N-甲基哌嗪 、 4,5-二氯-3-羟基哒嗪 在 potassium hydrogencarbonate 作用下， 以 乙醇 为溶剂， 以35%的产率得到4-chloro-5-(4-methyl-piperazin-1-yl)-pyridazin-3(2H)-one
  参考文献：
  名称：

  Synthesis and α1-antagonist activity of derivatives of 4-chloro-5-{4-[2-(2-methoxyphenoxy)-ethyl]-1-piperazinyl}-3(2H)-pyridazinone

  摘要：

  The synthesis and evaluation of the biological activity of new 4-chloro-5-{4-[2-(2-methoxyphenoxy)-ethyl]-1-piperazinyl}-3(2H)-pyridazinone derivatives are reported. The blocking activity of these compounds was determined on the pre- and postsynaptic alpha-adrenoceptors of isolated rat vas deferens. (C) 2000 Editions scientifiques et medicles Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)00161-6

文献信息

• PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS
  申请人：ARIAD PHARMACEUTICALS, INC.

  公开号：US20150225436A1

  公开（公告）日：2015-08-13

  The invention features compounds of the general formula: in which the variable groups are as defined herein, and to their preparation and use.

  该发明涉及一般式化合物：其中变量基团如本文所定义，以及它们的制备和使用。
• PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS
  申请人：Wang Yihan

  公开号：US20120202776A1

  公开（公告）日：2012-08-09

  The invention features compounds of the general formula (I) in which the variable groups are as defined herein, and to their preparation and use.

  该发明涉及通式（I）中变量基团如此定义的化合物，以及它们的制备和使用。
• Phosphorus Derivatives as Kinase Inhibitors
  申请人：ARIAD PHARMACEUTICALS, INC.

  公开号：US20130225527A1

  公开（公告）日：2013-08-29

  The invention features compounds of the general formula: in which the variable groups are as defined herein, and to their preparation and use.

  本发明涉及一般式化合物：其中变量基团的定义如本文所述，以及其制备和使用。
• Phosphorous Derivatives as Kinase Inhibitors
  申请人：ARIAD Pharmaceuticals, Inc.

  公开号：US20160376297A1

  公开（公告）日：2016-12-29

  The invention features compounds of the general formula: in which the variable groups are as defined herein, and to their preparation and use.

  本发明涉及一般式化合物：其中变量基团如此定义，以及它们的制备和使用。
• US9012462B2
  申请人：——

  公开号：US9012462B2

  公开（公告）日：2015-04-21