(2,4-difluoro-phenyl)-{3-[5-(3-dimethylamino-prop-1-ynyl)-2-methoxy-phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-amine | 872513-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2,4-difluoro-phenyl)-{3-[5-(3-dimethylamino-prop-1-ynyl)-2-methoxy-phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-amine
• 英文别名: N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine；N-(2,4-difluorophenyl)-3-[5-[3-(dimethylamino)prop-1-ynyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
• CAS: 872513-35-4
• 化学式: C₂₃H₂₀F₂N₆O
• 分子量: 434.448
• InChiKey: PKVMYXJWXRFRCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 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：
  79
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (2,4-difluoro-phenyl)-{3-[5-(3-dimethylamino-prop-1-ynyl)-2-methoxy-phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-amine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (2,4-Difluoro-phenyl)-{3-[5-(3-dimethylamino-propyl)-2-methoxy-phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-amine
  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 palladium diacetate 、 sodium t-butanolate chromium(VI) oxide 、 copper(l) iodide 、 硫酸 、 一水合肼 、 (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl 、 三苯基膦 、 lithium diisopropyl amide 作用下， 以 甲醇 、 二乙二醇二甲醚 、 丙酮 为溶剂， 反应 1.25h， 生成 (2,4-difluoro-phenyl)-{3-[5-(3-dimethylamino-prop-1-ynyl)-2-methoxy-phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-amine
  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

• 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。
• WO2006/63820
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.