2-(methylthio)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile | 1036027-62-9

• 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-(methylthio)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile
• 英文别名: 4-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
• CAS: 1036027-62-9
• 化学式: C₂₁H₁₄F₃N₅O₂S₂
• 分子量: 489.502
• InChiKey: FOVHIMHHJDEOIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-(methylthio)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以63%的产率得到2-(methylsulfonyl)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile
  参考文献：
  名称：

  WO2008/79346

  摘要：

  公开号：
• 作为产物：
  描述：

  3-(4,4,5,5-四甲基-1,3,2-二氧杂硼杂环戊烷-2-基)-1-甲苯磺酰基-5-(三氟甲基)-1H-吡咯并[2,3-B]吡啶 、 4-氯-2-甲硫基嘧啶-5-腈 在 二(三叔丁基膦)钯 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 以91%的产率得到2-(methylthio)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile
  参考文献：
  名称：

  WO2008/79346

  摘要：

  公开号：

文献信息

• 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Mortimore Michael

  公开号：US20100189773A1

  公开（公告）日：2010-07-29

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、状况或障碍的方法。本发明还提供了制备本发明化合物的方法。
• 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Mortimore Michael

  公开号：US20120309963A1

  公开（公告）日：2012-12-06

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物以及使用该组合物治疗各种疾病、病况或疾患的方法。本发明还提供了制备本发明化合物的方法。
• 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US08247421B2

  公开（公告）日：2012-08-21

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。该发明还提供了包含所述化合物的药学上可接受的组合物，并提供了使用这些组合物治疗各种疾病、病况或疾患的方法。该发明还提供了制备本发明化合物的方法。
• 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US08962642B2

  公开（公告）日：2015-02-24

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及一种作为蛋白激酶抑制剂有用的化合物。本发明还提供了包含该化合物的药学上可接受的组合物，并提供了使用该组合物治疗各种疾病、病况或疾患的方法。本发明还提供了制备本发明化合物的方法。
• 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2815750A1

  公开（公告）日：2014-12-24

  The present invention relates to compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders. The invention also provides processes for preparing the compounds of the invention.

  本发明涉及可用作蛋白激酶抑制剂的化合物。本发明还提供了包含本发明化合物的药学上可接受的组合物以及使用该组合物治疗各种疾病的方法。本发明还提供了制备本发明化合物的工艺。