[3-[[2-[(2,6-dimorpholin-4-yl-pyridin-4-yl)amino]pyrimidin-4-yl]-methyl-amino]-4-methyl-phenyl]methanol | 1075215-63-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [3-[[2-[(2,6-dimorpholin-4-yl-pyridin-4-yl)amino]pyrimidin-4-yl]-methyl-amino]-4-methyl-phenyl]methanol
• 英文别名: (3-((2-(2,6-Dimorpholinopyridin-4-ylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol；[3-[[2-[(2,6-dimorpholin-4-ylpyridin-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
• CAS: 1075215-63-2
• 化学式: C₂₆H₃₃N₇O₃
• 分子量: 491.593
• InChiKey: ZQTYFBLUGOGFNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  99.1
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  [3-[(2-chloropyrimidin-4-yl)-methyl-amino]-4-methyl-phenyl]methanol 在 咪唑 、 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 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 [3-[[2-[(2,6-dimorpholin-4-yl-pyridin-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

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。
• N' - (PHENYL) -N- (MORPHOLIN-4-YL-PYRIDIN-2-YL) -PYRIMIDINE-2, 4-DIAMINE DERIVATIVES AS EPHB4 KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE CONDITIONS
  申请人：AstraZeneca AB

  公开号：EP2150545A1

  公开（公告）日：2010-02-10
• [EN] N' - (PHENYL) -N- (MORPHOLIN-4-YL-PYRIDIN-2-YL) -PYRIMIDINE-2, 4-DIAMINE DERIVATIVES AS EPHB4 KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE CONDITIONS<br/>[FR] NOUVEAUX DÉRIVÉS DE N' - (PHÉNYL) -N- (MORPHOLIN-4-YL-PYRIDIN-2-YL) -PYRIMIDINE-2, 4-DIAMINEPYRIMIDINE EN TANT QU'INHIBITEURS DE EPHB4 KINASE POUR LE TRAITEMENT D'ÉTATS PROLIFÉRATIFS
  申请人：ASTRAZENECA AB

  公开号：WO2008132505A1

  公开（公告）日：2008-11-06

  [EN] The invention concerns pyrimidine com pounds of Formula (I), or a pharmaceutically acceptable salt thereof where A¹, A², A³, R¹, n, R², R³, and R⁴ are as defined in the description. The present invention also relates to pr ocesses 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 th e inhibition of EphB4 kinases.
  [FR] La présente invention concerne les composés pyrimidines de formule I, ou un sel pharmaceutiquement acceptable de ceux-ci où A¹, A², A³, R¹, n, R², R³, et R⁴sont définis dans la description. La présente invention concerne également des procédés pour la préparation de ces composés, des compositions pharmaceutiques les contenant et leur utilisation dans la fabrication d'un médicament pour utilisation comme agent antiprolifératif dans la prévention ou le traitement de tumeurs ou d'autres états prolifératifs qui sont sensibles à l'inhibition de EphB4 kinases.
• 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.