6-cyclopropyl-2-{2-hydroxymethyl-3-[4-methyl-6-(1-methyl-1H-pyrazol-4-ylamino)-5-oxo-4,5-dihydropyrazin-2-yl]phenyl}-3,4-dihydro-2H-isoquinolin-1-one | 1202931-33-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-cyclopropyl-2-{2-hydroxymethyl-3-[4-methyl-6-(1-methyl-1H-pyrazol-4-ylamino)-5-oxo-4,5-dihydropyrazin-2-yl]phenyl}-3,4-dihydro-2H-isoquinolin-1-one
• 英文别名: 6-Cyclopropyl-2-[2-(hydroxymethyl)-3-[4-methyl-6-[(1-methylpyrazol-4-yl)amino]-5-oxopyrazin-2-yl]phenyl]-3,4-dihydroisoquinolin-1-one
• CAS: 1202931-33-6
• 化学式: C₂₈H₂₈N₆O₃
• 分子量: 496.569
• InChiKey: QKCHXUAXLGVWIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• INHIBITORS OF BURTON'S TYROSINE KINASE
  申请人：Dewdney Nolan James

  公开号：US20100004231A1

  公开（公告）日：2010-01-07

  This application discloses 5-phenyl-1H-pyrazin-2-one derivatives according to generic Formulae I-V: wherein, variables Q, R, Y 1 , Y 2 , Y 2′ , Y 3 , Y 4 , n and m are defined as described herein, which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation such as rheumatoid arthritis. Also disclosed are compositions comprising compounds of Formulae I-V and at least one carrier, diluent or excipient.

  该申请披露了根据通用式I-V的5-苯基-1H-吡嗪-2-酮衍生物：其中，变量Q、R、Y1、Y2、Y2'、Y3、Y4、n和m的定义如本文所述，这些衍生物抑制Btk。本文披露的化合物可用于调节Btk的活性并治疗与Btk活性过高有关的疾病。这些化合物进一步可用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了包含通用式I-V化合物和至少一种载体、稀释剂或赋形剂的组合物。
• NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2300459B1

  公开（公告）日：2013-05-29
• US8536166B2
  申请人：——

  公开号：US8536166B2

  公开（公告）日：2013-09-17
• [EN] NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS<br/>[FR] NOUVELLES PHÉNYLPYRAZINONES EN TANT QU'INHIBITEURS DE KINASES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010000633A1

  公开（公告）日：2010-01-07

  The present invention provides 5 -phenyl- 1H-pyrazin-2 -one derivatives according to generic Formulae I-V: wherein, variables Q, R, Y1, Y2, Y2', Y3, Y4, n and m are defined as described herein, which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation such as rheumatoid arthritis. Also disclosed are compositions comprising compounds of Formulae I-V and at least one carrier, diluent or excipient.