6-tert-butyl-8-fluoro-2-{2-hydroxymethyl-3-[8-(1'-methyl-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-6-ylamino)-imidazo[1,2-a]pyridin-6-yl]-phenyl}-2H-phthalazin-1-one | 1443042-78-1

• 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: 6-tert-butyl-8-fluoro-2-{2-hydroxymethyl-3-[8-(1'-methyl-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-6-ylamino)-imidazo[1,2-a]pyridin-6-yl]-phenyl}-2H-phthalazin-1-one
• 英文别名: 6-tert-Butyl-8-fluoro-2-{2-hydroxymethyl-3-[8-(1'-methyl-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-6-ylamino)-imidazo[1,2-a]pyridin-6-yl]-phenyl}-2H-phthalazin-1-one；6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[8-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]phthalazin-1-one
• CAS: 1443042-78-1
• 化学式: C₃₇H₃₈FN₇O₂
• 分子量: 631.753
• InChiKey: JPRIVKYDRMVCMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  47
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  98.4
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  acetic acid 2-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-6-[8-(1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-6-ylamino)-imidazo[1,2-a]pyridin-6-yl]-benzyl ester 在 三乙酰氧基硼氢化钠 、 potassium carbonate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 6-tert-butyl-8-fluoro-2-{2-hydroxymethyl-3-[8-(1'-methyl-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-6-ylamino)-imidazo[1,2-a]pyridin-6-yl]-phenyl}-2H-phthalazin-1-one
  参考文献：
  名称：

  INHIBITORS OF BRUTON'S TYROSINE KINASE

  摘要：

  本申请披露了根据通用式I定义的化合物：其中变量如本文所述，并且抑制Btk。本文披露的化合物对调节Btk的活性并治疗与Btk活性过高相关的疾病有用。这些化合物还有助于治疗与异常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。

  公开号：

  US20130150360A1

文献信息

• Inhibitors of Bruton's tyrosine kinase
  申请人：Hoffmann-La Roche Inc.

  公开号：US08742098B2

  公开（公告）日：2014-06-03

  This application discloses compounds according to generic Formula I: wherein the variables are defined as described herein, and 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.

  本申请公开了按照通式I公式定义的化合物：其中变量的定义如此处所述，并且抑制Btk。本文所披露的化合物有助于调节Btk的活性并治疗与过度Btk活性相关的疾病。这些化合物进一步有助于治疗与异常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。此外，还公开了包含通式I化合物和至少一种载体、稀释剂或赋形剂的组合物。
• US8742098B2
  申请人：——

  公开号：US8742098B2

  公开（公告）日：2014-06-03
• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013083666A1

  公开（公告）日：2013-06-13

  This application discloses compounds according to generic Formula I: wherein the variables are defined as described herein, and 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：Hoffmann-La Roche Inc.

  公开号：US20130150360A1

  公开（公告）日：2013-06-13

  This application discloses compounds according to generic Formula I: wherein the variables are defined as described herein, and 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.

  本申请披露了根据通用式I定义的化合物：其中变量如本文所述，并且抑制Btk。本文披露的化合物对调节Btk的活性并治疗与Btk活性过高相关的疾病有用。这些化合物还有助于治疗与异常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。