2-(2-(ethanoyloxymethyl)-3-(5-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indole-1(2H)-one | 1346673-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(2-(ethanoyloxymethyl)-3-(5-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indole-1(2H)-one
• 英文别名: (2-(ethanoyloxymethyl)-3-(5-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indole-1(2H)-one；2-(5-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indole-2(1H)-yl)benzyl acetate；2-(5-(5-(2-Hydroxypropan-2-yl)-1-methyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate；[2-[5-[[5-(2-Hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]-1-methyl-6-oxopyridazin-3-yl]-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)phenyl]methyl acetate
• CAS: 1346673-29-7
• 化学式: C₃₂H₃₇N₇O₅
• 分子量: 599.69
• InChiKey: MMJXWRULFQLADM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE
  申请人：BARBOSA Antonio J.M.

  公开号：US20120010191A1

  公开（公告）日：2012-01-12

  Pyridone and aza-pyridone compounds of Formula I are provided, including stereoisomers, tautomers, and pharmaceutically acceptable salts thereof, useful for inhibiting Btk kinase, and for treating immune disorders such as inflammation mediated by Btk kinase. 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.

  本发明提供公式I的吡啶酮和氮杂吡啶酮化合物，包括立体异构体、互变异构体和其医药上可接受的盐，用于抑制Btk激酶并治疗由Btk激酶介导的免疫紊乱，例如炎症。本发明还公开了使用公式I化合物在哺乳动物细胞中进行体外、原位和体内诊断和治疗此类疾病或相关病理条件的方法。
• Pyridone and aza-pyridone compounds and methods of use
  申请人：GILEAD CONNECTICUT, INC.

  公开号：US10344040B2

  公开（公告）日：2019-07-09

  Pyridone and aza-pyridone compounds of Formula I are provided, including stereoisomers, tautomers, and pharmaceutically acceptable salts thereof, useful for inhibiting Btk kinase, and for treating immune disorders such as inflammation mediated by Btk kinase. 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.

  提供了式 I 的吡啶酮和氮杂吡啶酮化合物，包括其立体异构体、同系物和药学上可接受的盐，用于抑制 Btk 激酶和治疗由 Btk 激酶介导的免疫紊乱，如炎症。本发明还公开了使用式 I 化合物体外、原位和体内诊断和治疗哺乳动物细胞中此类疾病或相关病理状况的方法。
• US9505785B2
  申请人：——

  公开号：US9505785B2

  公开（公告）日：2016-11-29