2-(4-Hydroxyphenyl)-1-(6-methylpyridin-2-yl)ethanone | 909798-55-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-Hydroxyphenyl)-1-(6-methylpyridin-2-yl)ethanone
• 英文别名: 2-(4-hydroxyphenyl)-1-(6-methylpyridin-2-yl)ethanone
• CAS: 909798-55-6
• 化学式: C₁₄H₁₃NO₂
• 分子量: 227.263
• InChiKey: YOFMGHKPJIEBHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-Hydroxyphenyl)-1-(6-methylpyridin-2-yl)ethanone 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 66.0h， 生成 4-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenol
  参考文献：
  名称：

  Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain

  摘要：

  Pyrazole-based inhibitors of the transforming growth factor-beta type I receptor kinase domain (TbetaR-I) are described. Examination of the SAP, in both enzyme- and cell-based in vitro assays resulted in the emergence of two subseries featuring differing selectivity versus p38 MAP kinase. A common binding mode at the active site has been established by successful cocrystallization and X-ray analysis of potent inhibitors with the TbetaR-I receptor kinase domain.

  DOI：

  10.1021/jm0205705
• 作为产物：
  描述：

  4-羟基苯乙酸甲酯 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 60.0h， 生成 2-(4-Hydroxyphenyl)-1-(6-methylpyridin-2-yl)ethanone
  参考文献：
  名称：

  Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain

  摘要：

  Pyrazole-based inhibitors of the transforming growth factor-beta type I receptor kinase domain (TbetaR-I) are described. Examination of the SAP, in both enzyme- and cell-based in vitro assays resulted in the emergence of two subseries featuring differing selectivity versus p38 MAP kinase. A common binding mode at the active site has been established by successful cocrystallization and X-ray analysis of potent inhibitors with the TbetaR-I receptor kinase domain.

  DOI：

  10.1021/jm0205705