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

文献信息

• Synthesis and Activity of New Aryl- and Heteroaryl-Substituted Pyrazole Inhibitors of the Transforming Growth Factor-β Type I Receptor Kinase Domain
  作者：J. Scott Sawyer、Bryan D. Anderson、Douglas W. Beight、Robert M. Campbell、Michael L. Jones、David K. Herron、John W. Lampe、Jefferson R. McCowan、William T. McMillen、Nicholas Mort、Stephen Parsons、Edward C. R. Smith、Michal Vieth、Leonard C. Weir、Lei Yan、Faming Zhang、Jonathan M. Yingling

  DOI：10.1021/jm0205705

  日期：2003.9.1

  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.