4-chloro-3-methyl-7-phenylisoxazolo[4,5-d]pyridazinone | 475091-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-3-methyl-7-phenylisoxazolo[4,5-d]pyridazinone
• 英文别名: 4-Chloro-3-methyl-7-phenyl-[1,2]oxazolo[4,5-d]pyridazine
• CAS: 475091-43-1
• 化学式: C₁₂H₈ClN₃O
• 分子量: 245.668
• InChiKey: LBQFMKKUABXLHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-3-methyl-7-phenylisoxazolo[4,5-d]pyridazinone 、 碘甲烷 以 乙醇 为溶剂， 反应 1.0h， 以81%的产率得到Methyl-(3-methyl-7-phenyl-isoxazolo[4,5-d]pyridazin-4-yl)-amine
  参考文献：
  名称：

  Isoxazolo[3,4-d]pyridazinones and analogues as Leishmania mexicana PDE inhibitors

  摘要：

  A series of isoxazolopyridazinones and analogues has been prepared and evaluated as Leishmania mexicana phosphodiesterase (PDE) inhibitors. Some of the synthesized compounds showed a moderate PDE inhibitory activity at 100 muM and preliminary structure-activity relationships were discussed. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01188-0
• 作为产物：
  描述：

  3-Methyl-7-phenyl-5H-isoxazolo[4,5-d]pyridazin-4-one 在 三乙胺 、 三氯氧磷 作用下， 反应 7.0h， 以72%的产率得到4-chloro-3-methyl-7-phenylisoxazolo[4,5-d]pyridazinone
  参考文献：
  名称：

  Isoxazolo[3,4-d]pyridazinones and analogues as Leishmania mexicana PDE inhibitors

  摘要：

  A series of isoxazolopyridazinones and analogues has been prepared and evaluated as Leishmania mexicana phosphodiesterase (PDE) inhibitors. Some of the synthesized compounds showed a moderate PDE inhibitory activity at 100 muM and preliminary structure-activity relationships were discussed. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01188-0

文献信息

• Isoxazolo[3,4-d]pyridazinones and analogues as Leishmania mexicana PDE inhibitors
  作者：Vittorio Dal Piaz、A Rascón、M.E Dubra、M.P Giovannoni、C Vergelli、M.C Castellana

  DOI：10.1016/s0014-827x(01)01188-0

  日期：2002.2

  A series of isoxazolopyridazinones and analogues has been prepared and evaluated as Leishmania mexicana phosphodiesterase (PDE) inhibitors. Some of the synthesized compounds showed a moderate PDE inhibitory activity at 100 muM and preliminary structure-activity relationships were discussed. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.