4-{3-[6-(2,4-difluoro-phenylamino)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-4-methoxy-phenyl}-2-methyl-but-3-yn-2-ol | 872513-42-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-{3-[6-(2,4-difluoro-phenylamino)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-4-methoxy-phenyl}-2-methyl-but-3-yn-2-ol
• 英文别名: 4-(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]pyrazin-3-yl)-4-methoxyphenyl)-2-methylbut-3-yn-2-ol；4-[3-[6-(2,4-difluoroanilino)-2H-pyrazolo[3,4-b]pyrazin-3-yl]-4-methoxyphenyl]-2-methylbut-3-yn-2-ol
• CAS: 872513-42-3
• 化学式: C₂₃H₁₉F₂N₅O₂
• 分子量: 435.433
• InChiKey: GMIOVFWOKICUCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  96
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-{3-[6-(2,4-difluoro-phenylamino)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-4-methoxy-phenyl}-2-methyl-but-3-yn-2-ol 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以70%的产率得到4-{3-[6-(2,4-Difluoro-phenylamino)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-4-methoxy-phenyl}-2-methyl-butan-2-ol
  参考文献：
  名称：

  Pyrazoloheteroaryls: Novel p38α MAP kinase inhibiting scaffolds with oral activity

  摘要：

  A test library with three novel p38 alpha inhibitory scaffolds and a narrow set of substituents was prepared. Appropriate combination of substituent and scaffold generated potent p38 alpha inhibitors, for example, pyrazolo[3,4-b]pyridine 9, pyrazolo[3,4-d]pyrimidine 18a and pyrazolo[3,4-b]pyrazine 23b with potent in vivo activity upon oral administration in animal models of rheumatoid arthritis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.015
• 作为产物：
  描述：

  5-溴-2-甲氧基苯甲醛 在 chromium(VI) oxide 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 硫酸 、 一水合肼 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 3.0h， 生成 4-{3-[6-(2,4-difluoro-phenylamino)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-4-methoxy-phenyl}-2-methyl-but-3-yn-2-ol
  参考文献：
  名称：

  Pyrazoloheteroaryls: Novel p38α MAP kinase inhibiting scaffolds with oral activity

  摘要：

  A test library with three novel p38 alpha inhibitory scaffolds and a narrow set of substituents was prepared. Appropriate combination of substituent and scaffold generated potent p38 alpha inhibitors, for example, pyrazolo[3,4-b]pyridine 9, pyrazolo[3,4-d]pyrimidine 18a and pyrazolo[3,4-b]pyrazine 23b with potent in vivo activity upon oral administration in animal models of rheumatoid arthritis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.015

文献信息

• PYRAZOLO-HETEROARYL COMPOUNDS
  申请人：Revesz Lászlo

  公开号：US20090258874A1

  公开（公告）日：2009-10-15

  A compound of formula I wherein the groups R1-R4, X and Y are as defined in the specification, useful to treat TNF-Alpha and IL-1 mediated diseases.

  化合物I的公式为其中R1-R4，X和Y的基团如规范中所定义，可用于治疗TNF-Alpha和IL-1介导的疾病。
• Medicament for treatment of liver cancer
  申请人：Zender Lars

  公开号：US10441577B2

  公开（公告）日：2019-10-15

  The invention provides a pharmaceutical composition comprising Sorafenib in combination with an inhibitor of a specific kinase inhibitor as a medicament for the treatment or prevention of liver cancer.

  本发明提供了一种药物组合物，该组合物由索拉非尼与一种特异性激酶抑制剂组合而成，作为治疗或预防肝癌的药物。
• PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES
  申请人：Novartis AG

  公开号：EP1833477B1

  公开（公告）日：2010-06-02
• MEDICAMENT FOR TREATMENT OF LIVER CANCER
  申请人：Zender Lars

  公开号：US20150079154A1

  公开（公告）日：2015-03-19

  The invention provides a pharmaceutical composition comprising Sorafenib in combination with an inhibitor of a specific kinase inhibitor as a medicament for the treatment or prevention of liver cancer.
• Pyrazoloheteroaryls: Novel p38α MAP kinase inhibiting scaffolds with oral activity
  作者：Laszlo Revesz、Ernst Blum、Franco E. Di Padova、Thomas Buhl、Roland Feifel、Hermann Gram、Peter Hiestand、Ute Manning、Ulf Neumann、Gerard Rucklin

  DOI：10.1016/j.bmcl.2005.10.015

  日期：2006.1

  A test library with three novel p38 alpha inhibitory scaffolds and a narrow set of substituents was prepared. Appropriate combination of substituent and scaffold generated potent p38 alpha inhibitors, for example, pyrazolo[3,4-b]pyridine 9, pyrazolo[3,4-d]pyrimidine 18a and pyrazolo[3,4-b]pyrazine 23b with potent in vivo activity upon oral administration in animal models of rheumatoid arthritis. (c) 2005 Elsevier Ltd. All rights reserved.