5,7-dimethoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridin-4-ylchromen-4-one | 190973-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5,7-dimethoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridin-4-ylchromen-4-one
• CAS: 190973-32-1
• 化学式: C₂₂H₂₂N₂O₄
• 分子量: 378.428
• InChiKey: JWRSVFCPEFCSAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,7-dimethoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridin-4-ylchromen-4-one 在 吡啶盐酸盐 作用下， 生成 5,7-dihydroxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridin-4-ylchromen-4-one
  参考文献：
  名称：

  Structure–activity relationship studies of flavopiridol analogues

  摘要：

  Cyclin dependent kinases (CDKs) along with the complementary cyclins form key regulatory checkpoint controls on the cell cycle. Flavopiridol is a synthetic flavone that shows potent and selective cyclin-dependent kinase inhibitory activity. In this paper, we report modifications of the 3-hydroxy-1-methylpiperidinyl (D ring) of flavopiridol and their effect on CDK inhibitory activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00156-6
• 作为产物：
  描述：

  1-(2-hydroxy-4,6-dimethoxy-3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl)ethan-1-one 在 吡啶 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 5,7-dimethoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridin-4-ylchromen-4-one
  参考文献：
  名称：

  Structure–activity relationship studies of flavopiridol analogues

  摘要：

  Cyclin dependent kinases (CDKs) along with the complementary cyclins form key regulatory checkpoint controls on the cell cycle. Flavopiridol is a synthetic flavone that shows potent and selective cyclin-dependent kinase inhibitory activity. In this paper, we report modifications of the 3-hydroxy-1-methylpiperidinyl (D ring) of flavopiridol and their effect on CDK inhibitory activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00156-6