N-(3-methoxycarbonylphenyl)-4-(pyridin-3-yl)-2-pyrimidinamine | 156790-79-3

• 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: N-(3-methoxycarbonylphenyl)-4-(pyridin-3-yl)-2-pyrimidinamine
• 英文别名: 3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester；N-(3-methoxycarbonylphenyl)-4-(3-pyridyl)-2-pyrimidinamine；methyl 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate
• CAS: 156790-79-3
• 化学式: C₁₇H₁₄N₄O₂
• 分子量: 306.324
• InChiKey: VKYYLDREEKEXRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(3-methoxycarbonylphenyl)-4-(pyridin-3-yl)-2-pyrimidinamine 在 aq. alkali 作用下， 生成 3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
  参考文献：
  名称：

  Potent and selective inhibitors of the Abl-kinase: phenylamino-pyrimidine (PAP) derivatives

  摘要：

  Due to its relatively clear etiology, Chronic myelogenous leukemia (CML) represents an ideal disease target for a therapy using a selective inhibitor of the Bcr-Abl tyrosine protein kinase. Extensive optimization of the class of phenylamino-pyrimidines yielded highly potent and selective Bcr-Abl kinase inhibitors. Compound 1 shows high potency (IC50 = 38 nM) and selectivity for the Abl tyrosine protein kinase at the in vitro level. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00601-4
• 作为产物：
  描述：

  3-乙酰基吡啶 以 异丙醇 为溶剂， 生成 N-(3-methoxycarbonylphenyl)-4-(pyridin-3-yl)-2-pyrimidinamine
  参考文献：
  名称：

  Potent and selective inhibitors of the Abl-kinase: phenylamino-pyrimidine (PAP) derivatives

  摘要：

  Due to its relatively clear etiology, Chronic myelogenous leukemia (CML) represents an ideal disease target for a therapy using a selective inhibitor of the Bcr-Abl tyrosine protein kinase. Extensive optimization of the class of phenylamino-pyrimidines yielded highly potent and selective Bcr-Abl kinase inhibitors. Compound 1 shows high potency (IC50 = 38 nM) and selectivity for the Abl tyrosine protein kinase at the in vitro level. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00601-4

文献信息

• Inhibitors of tyrosine kinases
  申请人：NOVARTIS AG

  公开号：EP2100891A1

  公开（公告）日：2009-09-16

  The invention relates to compounds of formula wherein the substituents R1, R2 and R4 have the meaning as set forth and explained in the description of the invention, to processes for the preparation of these compounds, pharmaceutical compositions containing same, the use thereof optionally in combination with one or more other pharmaceutically active compounds for the therapy of a disease which responds to an inhibition of protein kinase activity, especially a neoplastic disease, in particular leukaemia, and a method for the treatment of such a disease.

  本发明涉及公式的化合物，其中置换基R1、R2和R4的含义如本发明说明书中所述和解释的那样，以及制备这些化合物的过程，包含它们的制药组合物，其可选择与一个或多个其他药物活性化合物联合使用，用于治疗对蛋白激酶活性抑制有反应的疾病，尤其是肿瘤性疾病，特别是白血病，并且提供了一种治疗这种疾病的方法。
• INHIBITORS OF TYROSINE KINASES
  申请人：Breitenstein Werner

  公开号：US20090286821A1

  公开（公告）日：2009-11-19

  The invention relates to compounds of formula wherein the substituents R1, R2 and R4 have the meaning as set forth and explained in the description of the invention, to processes for the preparation of these compounds, pharmaceutical compositions containing same, the use thereof optionally in combination with one or more other pharmaceutically active compounds for the therapy of a disease which responds to an inhibition of protein kinase activity, especially a neoplastic disease, in particular leukaemia, and a method for the treatment of such a disease.

  该发明涉及以下式子的化合物：其中取代基R1、R2和R4的含义如发明说明中所述和解释的那样，以及制备这些化合物的过程，包含这些化合物的药物组合物，与一种或多种其他药物活性化合物结合使用治疗对蛋白激酶活性抑制有反应的疾病，特别是肿瘤性疾病，特别是白血病，以及治疗这种疾病的方法。
• Verwendung von Pyrimidinderivaten als Proteinkinase C-Inhibitoren und Antitumormittel
  申请人：CIBA-GEIGY AG

  公开号：EP0588762A1

  公开（公告）日：1994-03-23

  Die Erfindung betrifft die Verwendung bekannter N-Phenyl-2-pyrimidinamin-derivate der Formel I zur Hemmung der Proteinkinase C in Warmblütern, d.h. z.B. als Antitumormittel. Die Substituenten in Formel I haben die in Anspruch 1 angegebenen Bedeutungen.

  本发明涉及式 I 的已知 N-苯基-2-嘧啶胺衍生物在温血动物中抑制蛋白激酶 C 的用途，即用作抗肿瘤药物等。 式 I 中的取代基具有权利要求 1 中给出的含义。
• EP1532138B1
  申请人：——

  公开号：EP1532138B1

  公开（公告）日：2008-11-19
• US5516775A
  申请人：——

  公开号：US5516775A

  公开（公告）日：1996-05-14