12-(8-Fluoro-1-oxophthalazin-2-yl)-5-methoxy-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并环庚烷吡啶
• 英文名称: 12-(8-Fluoro-1-oxophthalazin-2-yl)-5-methoxy-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one
• 英文别名: 12-(8-fluoro-1-oxophthalazin-2-yl)-5-methoxy-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one
• 化学式: C₂₃H₁₆FN₃O₃
• 分子量: 401.4
• InChiKey: JONYELZQRFILRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014135470A1

  公开（公告）日：2014-09-12

  This application discloses compounds according to generic Formula I: (I) wherein all variables 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 containing compounds of Formula I and at least one carrier, diluent or excipient.

  本申请公开了根据通用式I的化合物：（I）其中所有变量的定义如本文所述，这些化合物抑制BTK。本文披露的化合物可用于调节BTK的活性并治疗与过度BTK活性相关的疾病。这些化合物还可用于治疗与异常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。还披露了含有通用式I化合物和至少一种载体、稀释剂或赋形剂的组合物。
• INHIBITORS OF BRUTON'S TYROSINE KINASE
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20160002206A1

  公开（公告）日：2016-01-07

  This application discloses compounds according to generic Formula I: (I) wherein all variables 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 containing compounds of Formula I and at least one carrier, diluent or excipient.

  该应用程序披露了按照通用公式I（I）定义的化合物：其中所有变量如此处所述，可抑制BTK。此处披露的化合物有助于调节BTK活性并治疗与过度BTK活性相关的疾病。该化合物进一步有用于治疗与异常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。还披露了含有公式I化合物和至少一种载体，稀释剂或赋形剂的组合物。
• US9556147B2
  申请人：——

  公开号：US9556147B2

  公开（公告）日：2017-01-31