1-methyl-2-{2-[5-(4-methylpiperazin-1-yl)-2-trifluoromethoxyphenylamino]pyrimidin-4-yl}-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one hydrochloride | 1137468-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-methyl-2-{2-[5-(4-methylpiperazin-1-yl)-2-trifluoromethoxyphenylamino]pyrimidin-4-yl}-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one hydrochloride
• 英文别名: 1-Methyl-2-{2-[5-(4-methyl-piperazin-1-yl)-2-trifluoromethoxy-phenylamino]-pyrimidin-4-yl}-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one hydrochloride；1-methyl-2-[2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one;hydrochloride
• CAS: 1137468-05-3
• 化学式: C₂₄H₂₆F₃N₇O₂*ClH
• 分子量: 537.972
• InChiKey: VQKSTPHVKZIYPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  87.6
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-methyl-2-{2-[5-(4-methylpiperazin-1-yl)-2-trifluoromethoxyphenylamino]pyrimidin-4-yl}-4-oxo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 以98%的产率得到1-methyl-2-{2-[5-(4-methylpiperazin-1-yl)-2-trifluoromethoxyphenylamino]pyrimidin-4-yl}-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one hydrochloride
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRROLO-PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
  [FR] DÉRIVÉS DE PYRROLOPYRIMIDINE SUBSTITUÉS, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  公开了公式（I）的取代吡咯-嘧啶衍生物及其药用盐，如规范中定义的，以及它们的制备方法和包含它们的药物组合物；本发明的化合物可能在治疗与蛋白激酶活性失调相关的疾病，如癌症中有用。

  公开号：

  WO2009040399A1

文献信息

• Substituted Pyrrolo-Pyrimidine Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors
  申请人：Caruso Michele

  公开号：US20120122882A1

  公开（公告）日：2012-05-17

  Substituted pyrrolo-pyrimidine derivatives of formula (I) and pharmaceutically acceptable salts thereof, as defined in the specification, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful in therapy in the treatment of diseases associated with a dysregulated protein kinase activity, like cancer.

  本文披露了公式(I)的取代嘧啶-吡咯衍生物及其药学上可接受的盐，以及其制备方法和包含它们的制药组合物；本发明的化合物可能在治疗与蛋白激酶活性失调相关的疾病，如癌症方面具有用途。
• Substituted pyrrolo-pyrimidine derivatives, process for their preparation and their use as kinase inhibitors
  申请人：Caruso Michele

  公开号：US08426417B2

  公开（公告）日：2013-04-23

  Substituted pyrrolo-pyrimidine derivatives of formula (I) and pharmaceutically acceptable salts thereof, as defined in the specification, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful in therapy in the treatment of diseases associated with a dysregulated protein kinase activity, like cancer.

  本发明公开了公式（I）的替代吡咯-嘧啶衍生物及其药学上可接受的盐，其定义在说明书中，以及制备它们的过程和包含它们的制药组合物；本发明的化合物可能在治疗与蛋白激酶活性失调相关的疾病（如癌症）中有用。
• SUBSTITUTED PYRROLO-PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
  申请人：Nerviano Medical Sciences S.r.l.

  公开号：EP2203442B1

  公开（公告）日：2012-06-20
• US8426417B2
  申请人：——

  公开号：US8426417B2

  公开（公告）日：2013-04-23