4-Methoxy-3-pyrazolo[1,5-a]pyrimidin-7-ylaniline | 1202021-89-3

• 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-Methoxy-3-pyrazolo[1,5-a]pyrimidin-7-ylaniline
• CAS: 1202021-89-3
• 化学式: C₁₃H₁₂N₄O
• 分子量: 240.264
• InChiKey: BBXJDGQJAVMXGB-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Methoxy-3-pyrazolo[1,5-a]pyrimidin-7-ylaniline 、 3-(三氟甲基)苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(4-methoxy-3-pyrazolo[1,5-a]pyrimidin-7-ylphenyl)-3-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors

  摘要：

  As part of our research effort to discover B-Raf kinase inhibitors, we prepared a series of C-3 substituted N-(3-(pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamides. X-ray crystallography studies revealed that one of the more potent inhibitors (10n) bound to B-Raf kinase without forming a hinge-binding hydrogen bond. With basicamine residues appended to C-3 aryl residues, cellular activity and solubility were enhanced over previously described compounds of this class. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.049
• 作为产物：
  描述：

  7-(2-methoxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 48.0h， 以96%的产率得到4-Methoxy-3-pyrazolo[1,5-a]pyrimidin-7-ylaniline
  参考文献：
  名称：

  Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors

  摘要：

  As part of our research effort to discover B-Raf kinase inhibitors, we prepared a series of C-3 substituted N-(3-(pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamides. X-ray crystallography studies revealed that one of the more potent inhibitors (10n) bound to B-Raf kinase without forming a hinge-binding hydrogen bond. With basicamine residues appended to C-3 aryl residues, cellular activity and solubility were enhanced over previously described compounds of this class. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.049