[3-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-ethyl-amino]-4-methyl-phenyl]methanol | 1051898-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: [3-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-ethyl-amino]-4-methyl-phenyl]methanol
• 英文别名: (3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(ethyl)amino)-4-methylphenyl)methanol；[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-ethylamino]-4-methylphenyl]methanol
• CAS: 1051898-87-3
• 化学式: C₂₈H₃₆N₆O₃
• 分子量: 504.632
• InChiKey: KKSHELMUSUNFMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3,5-dimorpholinoaniline 、 (3-((2-chloropyrimidin-4-yl)(ethyl)amino)-4-methylphenyl)methanol 在 盐酸 作用下， 以 戊醇 为溶剂， 生成 [3-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-ethyl-amino]-4-methyl-phenyl]methanol
  参考文献：
  名称：

  Inhibitors of the tyrosine kinase EphB4. Part 4: Discovery and optimization of a benzylic alcohol series

  摘要：

  Optimization of our bis-anilino-pyrimidine series of EphB4 kinase inhibitors led to the discovery of compound 12 which incorporates a key m-hydroxymethylene group on the C4 aniline. 12 displays a good kinase selectivity profile, good physical properties and pharmacokinetic parameters, suggesting it is a suitable candidate to investigate the therapeutic potential of EphB4 kinase inhibitors.

  DOI：

  10.1016/j.bmcl.2011.03.009

文献信息

• NOVEL PYRIMIDINE DERIVATIVES 698
  申请人：Ashton Susan Elizabeth

  公开号：US20080242663A1

  公开（公告）日：2008-10-02

  The invention concerns compounds of Formula I, or a pharmaceutically acceptable salt thereof, where R 1 , n, R 2 , R 3 , and R 4 are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours or other proliferative conditions which are sensitive to the inhibition of EphB4 kinases.

  本发明涉及公式I的化合物或其药学上可接受的盐，其中R1、n、R2、R3和R4如描述中所定义。本发明还涉及制备这种化合物的方法、包含它们的药物组合物以及它们在制造用于作为抗增殖剂用于预防或治疗对EphB4激酶抑制敏感的肿瘤或其他增殖性疾病的药物的用途。
• Inhibitors of the tyrosine kinase EphB4. Part 4: Discovery and optimization of a benzylic alcohol series
  作者：Bernard Barlaam、Richard Ducray、Christine Lambert-van der Brempt、Patrick Plé、Catherine Bardelle、Nigel Brooks、Tanya Coleman、Darren Cross、Jason G. Kettle、Jon Read

  DOI：10.1016/j.bmcl.2011.03.009

  日期：2011.4

  Optimization of our bis-anilino-pyrimidine series of EphB4 kinase inhibitors led to the discovery of compound 12 which incorporates a key m-hydroxymethylene group on the C4 aniline. 12 displays a good kinase selectivity profile, good physical properties and pharmacokinetic parameters, suggesting it is a suitable candidate to investigate the therapeutic potential of EphB4 kinase inhibitors.