2-(3,5-dichlorophenylamino)-1-(6-(N-methyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)ethanone | 1374239-53-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(3,5-dichlorophenylamino)-1-(6-(N-methyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)ethanone
• 英文别名: 2-(3,5-dichlorophenylamino)-1-(6-(N-methyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-aza-bicyclo[2.2.1]heptan-2-yl)ethanone；2-(3,5-dichloroanilino)-1-[6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
• CAS: 1374239-53-8
• 化学式: C₂₁H₂₂Cl₂N₆O
• 分子量: 445.351
• InChiKey: VKBOPJKCIQBPAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 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：
  77.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(3,5-dichloro-phenylamino)-1-{3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-azepan-1-yl}-ethanone 、 甲醇 以 二氯甲烷 为溶剂， 以to afford (60 mg 45%) of the titled compound的产率得到2-(3,5-dichlorophenylamino)-1-(6-(N-methyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)ethanone
  参考文献：
  名称：

  HETEROCYCLIC TYROSINE KINASE INHIBITORS

  摘要：

  本发明提供了作为Tec家族激酶抑制剂的化合物，其组成物以及使用它们的方法。

  公开号：

  US20130345192A1

文献信息

• Heterocyclic tyrosine kinase inhibitors
  申请人：Hopkins Brian T.

  公开号：US09273028B2

  公开（公告）日：2016-03-01

  The present invention provides compounds useful as inhibitors of Tec family kinases, compositions thereof, and methods of using the same.

  本发明提供了一种作为Tec家族激酶抑制剂的化合物，其组成物以及使用它们的方法。
• US9273028B2
  申请人：——

  公开号：US9273028B2

  公开（公告）日：2016-03-01
• [EN] HETEROCYCLIC TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE HÉTÉROCYCLIQUES
  申请人：BIOGEN IDEC INC

  公开号：WO2012058645A1

  公开（公告）日：2012-05-03

  The present invention provides compounds useful as inhibitors of Tec family kinases, compositions thereof, and methods of using the same. In certain embodiments, the present invention provides pharmaceutical formulations comprising provided compounds. In certain embodiments, the present invention provides a method of decreasing enzymatic activity of a Tec kinase family member. In some embodiments, such methods include contacting a Tec kinase family member with an effective amount of a Tec kinase family member inhibitor. In certain embodiments, the present invention provides a method of treating a disorder responsive to Tec kinase family inhibition in a subject in need thereof.