1-[3-(6-tert-Butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-2-hydroxymethyl-phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid amide | 1413061-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-[3-(6-tert-Butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-2-hydroxymethyl-phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid amide
• 英文别名: 1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• CAS: 1413061-60-5
• 化学式: C₂₇H₂₄FN₅O₃
• 分子量: 485.518
• InChiKey: UFDXCTCOLGLNTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[3-(6-tert-Butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-2-hydroxymethyl-phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile 在 indium(III) chloride 乙醛肟 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以12%的产率得到1-[3-(6-tert-Butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-2-hydroxymethyl-phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid amide
  参考文献：
  名称：

  INHIBITORS OF BRUTON'S TYROSINE KINASE

  摘要：

  本申请公开了根据通式I的化合物：其中所有变量都定义为本文所述，这些化合物抑制Btk。所公开的化合物可用于调节Btk的活性并治疗与Btk活性过度相关的疾病。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，例如类风湿性关节炎。还公开了包含通式I化合物和至少一种载体、稀释剂或助剂的组合物。

  公开号：

  US20120295885A1

文献信息

• Inhibitors of bruton's tyrosine kinase
  申请人：Billedeau Roland Joseph

  公开号：US08729078B2

  公开（公告）日：2014-05-20

  This application discloses compounds according to generic Formula 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.

  本申请公开了按通用式I定义的化合物：其中所有变量如本文所述，可抑制Btk。本文所披露的化合物对于调节Btk的活性和治疗与过度Btk活性相关的疾病是有用的。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性疾病，如类风湿性关节炎。还公开了含有通式I化合物和至少一种载体、稀释剂或赋形剂的组合物。
• US8729078B2
  申请人：——

  公开号：US8729078B2

  公开（公告）日：2014-05-20
• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012156334A1

  公开（公告）日：2012-11-22

  This application discloses compounds according to generic Formula (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.
• INHIBITORS OF BRUTON'S TYROSINE KINASE
  申请人：Billedeau Roland Joseph

  公开号：US20120295885A1

  公开（公告）日：2012-11-22

  This application discloses compounds according to generic Formula 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式I的化合物：其中所有变量都定义为本文所述，这些化合物抑制Btk。所公开的化合物可用于调节Btk的活性并治疗与Btk活性过度相关的疾病。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，例如类风湿性关节炎。还公开了包含通式I化合物和至少一种载体、稀释剂或助剂的组合物。