4-{[4-(2,6-dimethylpyridin-3-yl)oxypyridin-2-yl]amino}-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-benzamide | 1117686-31-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-{[4-(2,6-dimethylpyridin-3-yl)oxypyridin-2-yl]amino}-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-benzamide
• 英文别名: 4-{[4-(2,6-Dimethylpyridin-3-yl)oxypyridin-2-yl]amino}-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]benzamide；4-[[4-(2,6-dimethylpyridin-3-yl)oxypyridin-2-yl]amino]-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]benzamide
• CAS: 1117686-31-3
• 化学式: C₂₇H₃₁N₅O₃
• 分子量: 473.575
• InChiKey: KVDRUDJCDHKMQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(8-oxa-3-aza-bicyclo[3.2.1]oct-3-yl)-ethylamine 、 lithium 4-{[4-(2,6-dimethylpyridin-3-yl)oxypyridin-2-yl]-amino}-benzoate 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 异丁酰胺 为溶剂， 反应 18.0h， 以44%的产率得到4-{[4-(2,6-dimethylpyridin-3-yl)oxypyridin-2-yl]amino}-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-benzamide
  参考文献：
  名称：

  CHEMICAL COMPOUNDS-821

  摘要：

  该发明涉及化学式(I)的化合物，或其药学上可接受的盐，具有ALK5（TGFβR1）抑制活性，因此在抗癌活性方面有用，从而在治疗人体或动物体的方法中有用。该发明还涉及制造上述化学化合物的方法，含有它们的药物组合物，以及它们在制造用于在温血动物（如人）中产生抗癌效果的药物中的使用。

  公开号：

  US20090048269A1

文献信息

• [EN] PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS<br/>[FR] COMPOSÉS CHIMIQUES 1 - 821
  申请人：ASTRAZENECA AB

  公开号：WO2009022171A1

  公开（公告）日：2009-02-19

  The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess ALK5 (TGFβRl) inhibitory activity and are accordingly useful for their anti-cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an anti¬ cancer effect in a warm-blooded animal such as man.
• CHEMICAL COMPOUNDS-821
  申请人：Finlay Maurice Raymond

  公开号：US20090048269A1

  公开（公告）日：2009-02-19

  The invention relates to chemical compounds of the formula (I), or pharmaceutically acceptable salts thereof, which possess ALK5 (TGFβR1) inhibitory activity and are accordingly useful for their anti-cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an anti-cancer effect in a warm-blooded animal such as man.

  该发明涉及化学式(I)的化合物，或其药学上可接受的盐，具有ALK5（TGFβR1）抑制活性，因此在抗癌活性方面有用，从而在治疗人体或动物体的方法中有用。该发明还涉及制造上述化学化合物的方法，含有它们的药物组合物，以及它们在制造用于在温血动物（如人）中产生抗癌效果的药物中的使用。