6-(2,4-difluorophenoxy)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one | 1280218-15-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(2,4-difluorophenoxy)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
• 英文别名: 6-(2,4-difluorophenoxy)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
• CAS: 1280218-15-6
• 化学式: C₁₅H₁₂F₂N₄O₂
• 分子量: 318.283
• InChiKey: OZULYIIGBMRTMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-(2,4-二氟苯氧基)-8-甲基-2-(甲硫基)吡啶并[2,3-d]嘧啶-7(8H)-酮 在 甲酸 、 双氧水 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 6-(2,4-difluorophenoxy)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
  参考文献：
  名称：

  Discovery of 6-(2,4-Difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (Pamapimod) and 6-(2,4-Difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (R1487) as Orally Bioavailable and Highly Selective Inhibitors of p38α Mitogen-Activated Protein Kinase

  摘要：

  The development of a new series of p38 alpha inhibitors resulted in the identification of two clinical candidates, one of which was advanced into a phase 2 clinical study for rheumatoid arthritis. The original lead, an lck inhibitor that also potently inhibited p38a, was a screening hit from our kinase inhibitor library. This manuscript describes the optimization of the lead to p38-selective examples with good pharmacokinetic properties.

  DOI：

  10.1021/jm101423y