N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(5,7-difluoro-2,3-dihydrobenzofuran-6-yl)thiazole-4-carboxamide | 1586042-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(5,7-difluoro-2,3-dihydrobenzofuran-6-yl)thiazole-4-carboxamide
• 英文别名: N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxamide
• CAS: 1586042-28-5
• 化学式: C₂₂H₂₂F₃N₅O₃S
• 分子量: 493.51
• InChiKey: NSCHMNGTLQVJBY-IOASZLSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20140088117A1

  公开（公告）日：2014-03-27

  Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds of Formula I, including stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof, wherein R 2 is a cyclic ether and X is thiazolyl, pyrazinyl, pyridinyl, or pyrimidinyl, are useful for inhibiting Pim kinase, and for treating disorders such as cancer mediated by Pim kinase. 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.

  公式I的环醚吡唑-4-基-杂环基-羧酰胺化合物，包括立体异构体、几何异构体、互变异构体和其药学上可接受的盐，其中R2为环醚，X为噻唑基、吡啶基、吡啶基或嘧啶基，可用于抑制Pim激酶，并用于治疗由Pim激酶介导的癌症等疾病。公开了使用公式I化合物进行体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病或相关病理条件的方法。
• Cyclic Ether Pyrazol-4-YL-Heterocyclyl-Carboxamide Compounds And Methods Of Use
  申请人：Genentech, Inc.

  公开号：US20160213652A1

  公开（公告）日：2016-07-28

  Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds of Formula I, including stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof, wherein R 2 is a cyclic ether and X is thiazolyl, pyrazinyl, pyridinyl, or pyrimidinyl, are useful for inhibiting Pim kinase, and for treating disorders such as cancer mediated by Pim kinase. 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.

  公式I中的环氧杂环基卡氧酰胺化合物，包括立体异构体、几何异构体、互变异构体和其药学上可接受的盐，其中R2是环氧杂环基，X是噻唑基、吡嗪基、吡啶基或嘧啶基，可用于抑制Pim激酶，并用于治疗由Pim激酶介导的癌症等疾病。公开了使用公式I中的化合物进行哺乳动物细胞中的体外、原位和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• US9328106B2
  申请人：——

  公开号：US9328106B2

  公开（公告）日：2016-05-03
• US9931323B2
  申请人：——

  公开号：US9931323B2

  公开（公告）日：2018-04-03