N-(3-((5-fluoro-2-(hydroxy(4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide | 1616380-31-4

• 分子结构分类: 有机化合物 - 苯类化合物 - N-苯基羟胺
• 英文名称: N-(3-((5-fluoro-2-(hydroxy(4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide
• 英文别名: N-(3-((5-fluoro-2-(hydroxy(4-(2-methoxyethoxyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide；N-[3-[[5-fluoro-2-[N-hydroxy-4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• CAS: 1616380-31-4
• 化学式: C₂₂H₂₂FN₅O₄
• 分子量: 439.446
• InChiKey: XOCVPXZVWQAIPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• HETEROARYL COMPOUNDS AND USES THEREOF
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20140179720A1

  公开（公告）日：2014-06-26

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

  本发明提供了化合物、药学上可接受的组合物以及使用它们的方法。
• US9126950B2
  申请人：——

  公开号：US9126950B2

  公开（公告）日：2015-09-08
• US9415049B2
  申请人：——

  公开号：US9415049B2

  公开（公告）日：2016-08-16
• US9549927B2
  申请人：——

  公开号：US9549927B2

  公开（公告）日：2017-01-24
• [EN] HETEROARYL COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLÉS ET LEURS UTILISATIONS
  申请人：CELGENE AVILOMICS RES INC

  公开号：WO2014100748A1

  公开（公告）日：2014-06-26

  The present invention provides certain compounds, and compositions thereof, useful as protein kinase inhibitors. In particular, the present invention provides certain 2,4-disubstituted pyrimidine compounds which inhibit activity of one or more protein kinases, including Bruton's tyrosine kinase ("BTK"), a member of TEC-kinases (e.g., TEC, BTK, IL2-inducible T -cell kinase (ITK), receptor-like kinases (RLK) and bone marrow kinase on chromosome X (BMX)). Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful for treating a variety of diseases, disorders or conditions, associated with abnormal cellular responses triggered by protein kinase-mediated events. Compounds provided by this invention are also useful for the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors.