2-(4-pyridyl)-6,7-dimethylchromone-8-carboxylic acid

• 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: 2-(4-pyridyl)-6,7-dimethylchromone-8-carboxylic acid
• 英文别名: 6,7-Dimethyl-4-oxo-2-pyridin-4-yl-4H-chromene-8-carboxylic acid；6,7-dimethyl-4-oxo-2-pyridin-4-ylchromene-8-carboxylic acid
• 化学式: C₁₇H₁₃NO₄
• 分子量: 295.295
• InChiKey: REPHLLFXIJIPMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6,7-Dimethyl-4-oxo-2-pyridin-4-yl-4H-chromene-8-carboxylic acid amide 在 sodium nitrite 作用下， 以80%的产率得到2-(4-pyridyl)-6,7-dimethylchromone-8-carboxylic acid
  参考文献：
  名称：

  Synthesis of flavone-8-carboxylic acid analogues as potential antitumor agents

  摘要：

  Furan o-aminonitriles may be utilized as precursors in the synthesis of flavone-8-carboxylic acids. Some results from in vivo evaluation against P388 leukemia, colon carcinoma 38, and B16 melanoma models suggest that selected examples of the acids are potentially as effective as the antitumor compound, flavone acetic acid. The flavone-8-carboxylic acids did not exhibit significant activity against an in vitro HIV screen or an in vitro antitumor screen consisting of a cell panel of 60 lines.

  DOI：

  10.1016/0223-5234(93)90127-z

文献信息

• Synthesis of flavone-8-carboxylic acid analogues as potential antitumor agents
  作者：SJ Cutler、FM El-Kabbani、C Keane、SL Fisher-Shore、FL McCabe、RK Johnson、C De Witt Blanton

  DOI：10.1016/0223-5234(93)90127-z

  日期：1993.1

  Furan o-aminonitriles may be utilized as precursors in the synthesis of flavone-8-carboxylic acids. Some results from in vivo evaluation against P388 leukemia, colon carcinoma 38, and B16 melanoma models suggest that selected examples of the acids are potentially as effective as the antitumor compound, flavone acetic acid. The flavone-8-carboxylic acids did not exhibit significant activity against an in vitro HIV screen or an in vitro antitumor screen consisting of a cell panel of 60 lines.