(1S,3S)-N-[5-[2-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-3-(hydroxymethyl)-4-pyridyl]-1-methyl-2-oxo-3-pyridyl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (1S,3S)-N-[5-[2-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-3-(hydroxymethyl)-4-pyridyl]-1-methyl-2-oxo-3-pyridyl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
• 英文别名: (2S,3S)-N-[5-[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
• 化学式: C₃₂H₃₅FN₆O₄
• 分子量: 586.666
• InChiKey: AHGFORGEDILSJJ-HEIROHQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] HETEROARYL PYRIDONE AND AZA-PYRIDONE AMIDE COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROARYL PYRIDONE ET AZA-PYRIDONE AMIDE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015000949A1

  公开（公告）日：2015-01-08

  Heteroaryl pyridone and aza-pyridone amide compounds of Formula (I) are provided, and various substituents including stereoisomers, tautomers, and pharmaceutically acceptable salts thereof, useful for inhibiting Btk, and for treating cancer and immune disorders such as inflammation mediated by Btk. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, and treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  提供了公式（I）的杂环吡啶酮和氮杂吡啶酮酰胺化合物，包括各种取代基，如立体异构体、互变异构体和其药学上可接受的盐，用于抑制Btk，并用于治疗癌症和由Btk介导的炎症等免疫紊乱。公开了使用公式I化合物进行哺乳动物细胞中的体外、体内和原位诊断以及治疗这类疾病或相关病理条件的方法。
• HETEROARYL PYRIDONE AND AZA-PYRIDONE AMIDE COMPOUNDS
  申请人：Genentech, Inc.

  公开号：US20150011461A1

  公开（公告）日：2015-01-08

  Heteroaryl pyridone and aza-pyridone amide compounds of Formula I are provided, and various substituents including stereoisomers, tautomers, and pharmaceutically acceptable salts thereof, useful for inhibiting Btk, and for treating cancer and immune disorders such as inflammation mediated by Btk. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, and treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  提供了公式I的杂环芘酮和氮杂芘酮酰胺化合物，包括立体异构体，互变异构体和其药学上可接受的盐，有助于抑制Btk，用于治疗癌症和免疫紊乱，如由Btk介导的炎症。公开了使用公式I化合物进行哺乳动物细胞中的体外，体内和原位诊断和治疗此类紊乱或相关病理条件的方法。
• US9326985B2
  申请人：——

  公开号：US9326985B2

  公开（公告）日：2016-05-03