2-chloro-N-(5-methoxy-2-methyl-phenyl)pyrimidin-4-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-chloro-N-(5-methoxy-2-methyl-phenyl)pyrimidin-4-amine
• 英文别名: 2-chloro-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
• 化学式: C₁₂H₁₂ClN₃O
• 分子量: 249.7
• InChiKey: BARKCUZFCNSOPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(5-methoxy-2-methyl-phenyl)pyrimidin-4-amine 、 间氨基苯磺酰胺 在 盐酸 作用下， 以 丙酮 为溶剂， 生成 3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
  参考文献：
  名称：

  N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: Indazoles as phenol isosteres with improved pharmacokinetics

  摘要：

  2,4-Dianilino pyrimidines are well-known inhibitors of tyrosine kinases including lymphocyte specific kinase (Lek). Structure-activity relationships at the 4-position are discussed and rationalised. Examples bearing a 2-methyl-5-hydroxyaniline substituent at the 4-position were especially potent but showed poor oral pharmacokinetics. Replacement of this substituent by 4-amino(5methyl-IH-indazole) yielded compounds with comparable enzyme potency and improved pharmacokinetic properties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.029
• 作为产物：
  描述：

  2,4-二氯嘧啶 、 5-甲氧基-2-甲基苯胺 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以40%的产率得到2-chloro-N-(5-methoxy-2-methyl-phenyl)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。
• 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。
• WO2008/132505
  申请人：——

  公开号：——

  公开（公告）日：——
• 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] NOVEL PYRIMIDINE DERIVATIVES 698<br/>[FR] NOUVEAUX DÉRIVÉS 698 DE PYRIMIDINE
  申请人：ASTRAZENECA AB

  公开号：WO2008104754A1

  公开（公告）日：2008-09-04

  [EN] The invention concerns compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R¹, n, R², R³, and R⁴ 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.
  [FR] La présente invention concerne des composés représentés par la formule (I) ou l'un de ses sels pharmaceutiquement admis, dans laquelle R1, n, R2, R3 et R4 sont tels que définis dans la description. L'invention concerne également des procédés d'élaboration de tels composés, des compositions pharmaceutiques les contenant, et leur utilisation dans la fabrication d'un médicament à utiliser comme anti-proliférant en prévention ou traitement de tumeurs ou d'autres états proliférants réagissant à l'inhibition des kinases EphB4.