N-(aminomethylidene)-3-bromo-2-oxo-N'-propan-2-ylpropanimidamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(aminomethylidene)-3-bromo-2-oxo-N'-propan-2-ylpropanimidamide
• 化学式: C₇H₁₂BrN₃O
• 分子量: 234.09
• InChiKey: PJHZSYCCQDTIRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Benzoxazepin PI3K inhibitor compounds and methods of use
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2711368A1

  公开（公告）日：2014-03-26

  The invention relates to benzoxazepin compounds of Formula I including stereoisomers, geometric isomers, tautomers, or pharmaceutically acceptable salts thereof, wherein: Z1 is CR1 or N; Z2 is CR2 or N; Z3 is CR3 or N; Z4 is CR4 or N; and B is a pyrazolyl, imidazolyl, or triazolyl ring which compounds have anti-cancer activity, and more specifically, inhibit PI3 kinase activity.

  本发明涉及式 I 的苯并氧氮杂卓化合物 包括立体异构体、几何异构体、同分异构体或其药学上可接受的盐，其中Z1是CR1或N；Z2是CR2或N；Z3是CR3或N；Z4是CR4或N；B是吡唑环、咪唑环或三唑环，这些化合物具有抗癌活性，更具体地说，具有抑制PI3激酶活性的作用。
• BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2688891B1

  公开（公告）日：2017-11-15
• BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20170081341A1

  公开（公告）日：2017-03-23

  Benzoxazepin compounds of Formula I, including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, wherein: Z 1 is CR 1 or N; Z 2 is CR 2 or N; Z 3 is CR 3 or N; Z 4 is CR 4 or N; and B is a pyrazolyl, imidazolyl, or triazolyl ring fused to the benzoxepin ring, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.
• US9670228B2
  申请人：——

  公开号：US9670228B2

  公开（公告）日：2017-06-06