2-chloro-N-[5-[(dimethyl-tert-butyl-silyl)oxymethyl]-2-methyl-phenyl]-N-methyl-pyrimidin-4-amine | 1075215-77-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-chloro-N-[5-[(dimethyl-tert-butyl-silyl)oxymethyl]-2-methyl-phenyl]-N-methyl-pyrimidin-4-amine
• 英文别名: N-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylphenyl]-2-chloro-N-methylpyrimidin-4-amine
• CAS: 1075215-77-8
• 化学式: C₁₉H₂₈ClN₃OSi
• 分子量: 377.989
• InChiKey: XOBXCNJOVLISII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-N-[5-[(dimethyl-tert-butyl-silyl)oxymethyl]-2-methyl-phenyl]-N-methyl-pyrimidin-4-amine 、 2,6-dimorpholino-pyrimidin-4-ylamine 在 盐酸 、 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 [3-[[2-[(2,6-dimorpholin-4-yl-pyrimidin-4-yl)amino]pyrimidin-4-yl]-methyl-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
• 作为产物：
  描述：

  3-氨基-4-甲基苯甲醇 在 咪唑 、 caesium carbonate 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 37.0h， 生成 2-chloro-N-[5-[(dimethyl-tert-butyl-silyl)oxymethyl]-2-methyl-phenyl]-N-methyl-pyrimidin-4-amine
  参考文献：
  名称：

  WO2008/132505

  摘要：

  公开号：

文献信息

• NOVEL PYRIMIDINE DERIVATIVES - 816
  申请人：BARLAAM Bernard Christophe

  公开号：US20090036440A1

  公开（公告）日：2009-02-05

  The invention concerns pyrimidine compounds of Formula I, or a pharmaceutically acceptable salt thereof, where A 1 , A 2 A 3 , 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的嘧啶化合物或其药学上可接受的盐，其中A1，A2A3，R1，n，R2，R3和R4如描述中所定义。本发明还涉及制备这些化合物的方法，包含它们的制药组合物以及它们在制造抗增殖剂用药物中的应用，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。
• 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.
• WO2008/132505
  申请人：——

  公开号：——

  公开（公告）日：——