2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl methanesulfonate | 892143-13-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl methanesulfonate
• 英文别名: 2-[[4-[3-fluoro-4-(6-methylpyridin-3-yl)oxyanilino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy]ethyl methanesulfonate
• CAS: 892143-13-4
• 化学式: C₂₀H₁₉FN₆O₅S
• 分子量: 474.472
• InChiKey: LSPCWHXKKSISSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  150
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-羟基哌啶 、 2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl methanesulfonate 以 N,N-二甲基乙酰胺 为溶剂， 反应 0.08h， 生成 1-(2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol
  参考文献：
  名称：

  Novel 3-alkoxy-1H-pyrazolo[3,4-d]pyrimidines as EGFR and erbB2 receptor tyrosine kinase inhibitors

  摘要：

  Novel 4-anilino-1H-pyrazolo[3,4-d]pyrimidines have been synthesized and evaluated in vitro for erbB2 and EGFR kinase inhibition. A representative compound displaying oral bioavailability in rat and dog illustrates the potential of this series to provide orally active erbB2 inhibitors. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.035
• 作为产物：
  描述：

  2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethanol 、 甲基磺酰氯 在 吡啶 作用下， 反应 1.0h， 生成 2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl methanesulfonate
  参考文献：
  名称：

  Novel 3-alkoxy-1H-pyrazolo[3,4-d]pyrimidines as EGFR and erbB2 receptor tyrosine kinase inhibitors

  摘要：

  Novel 4-anilino-1H-pyrazolo[3,4-d]pyrimidines have been synthesized and evaluated in vitro for erbB2 and EGFR kinase inhibition. A representative compound displaying oral bioavailability in rat and dog illustrates the potential of this series to provide orally active erbB2 inhibitors. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.035

文献信息

• Pyrazolopyrimidine Compounds as Antitumor Agents
  申请人：Barlaam Bernard Christophe

  公开号：US20080108613A1

  公开（公告）日：2008-05-08

  The invention concerns compounds of the formula (I) wherein the substituents are as defined in the text for use in the production of an anti proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm blooded animal such as man.

  本发明涉及式(I)的化合物，其中取代基如文本中所定义，用于在温血动物如人体内产生抗增殖作用，该作用单独或部分地通过抑制erbB2受体酪氨酸激酶来产生。
• Pyrazolo[3,4-d]pyrimidine compounds as antitumor agents
  申请人：AstraZeneca AB

  公开号：US07947676B2

  公开（公告）日：2011-05-24

  The invention concerns compounds of the formula (I) wherein the substituents are as defined in the text for use in the production of an anti proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm blooded animal such as man.

  本发明涉及式(I)化合物，其中取代基如文本中所定义，用于在温血动物（例如人）中产生抗增殖效应，该效应单独或部分地通过抑制erbB2受体酪氨酸激酶来产生。
• PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS
  申请人：AstraZeneca AB

  公开号：EP1838712A1

  公开（公告）日：2007-10-03
• US7947676B2
  申请人：——

  公开号：US7947676B2

  公开（公告）日：2011-05-24
• [EN] PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS<br/>[FR] COMPOSES DE PYRAZOLOPYRIMIDINE EN TANT QU'AGENTS ANTITUMORAUX
  申请人：ASTRAZENECA AB

  公开号：WO2006064196A1

  公开（公告）日：2006-06-22

  [EN] The invention concerns compounds of the formula (I) wherein the substituents are as defined in the text for use in the production of an anti proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm blooded animal such as man.
  [FR] La présente invention concerne de composés de la formule (I), dans laquelle les substituants sont tels que définis dans la description. Ces composés sont destinés à être utilisés en vue de produire un effet anti-prolifératif, cet effet étant produit uniquement ou partiellement par l'inhibition du récepteur erbB2 de la tyrosine kinase chez un animal à sang chaud tel que l'être humain.