8-Fluoro-4-methyl-furo[3,4-c]quinoline-1,3-dione | 851756-23-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-Fluoro-4-methyl-furo[3,4-c]quinoline-1,3-dione
• 英文别名: 8-fluoro-4-methylfuro[3,4-c]quinoline-1,3-dione
• CAS: 851756-23-5
• 化学式: C₁₂H₆FNO₃
• 分子量: 231.183
• InChiKey: CMQFRIWYPJNISM-UHFFFAOYSA-N

物化性质

• 沸点：
  427.5±45.0 °C(Predicted)
• 密度：
  1.537±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.99
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  56.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  8-Fluoro-4-methyl-furo[3,4-c]quinoline-1,3-dione 在 吡啶 、 氨 、 乙酸酐 作用下， 反应 0.5h， 生成 8-Fluoro-4-methyl-pyrrolo[3,4-c]quinoline-1,3-dione
  参考文献：
  名称：

  1,3-Dioxo-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinolines as potent caspase-3 inhibitors

  摘要：

  Synthesis, biological evaluation and structure-activity relationships for a series of novel nonpeptide small molecule inhibitors of caspase-3 are described. Among the studied compounds, 8-sulfamide derivatives of 1,3-dioxo-4-methyl-2,3-dihydro-1H-pyr-rolo [3,4-c]quinolines have been identified as potent inhibitors of caspases-3. The most active compound within this series (8f) inhibited caspase-3 with IC50 = 4 nM. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.027
• 作为产物：
  描述：

  6-Fluoro-2-methyl-quinoline-3,4-dicarboxylic acid 在 吡啶 、 乙酸酐 作用下， 反应 3.0h， 生成 8-Fluoro-4-methyl-furo[3,4-c]quinoline-1,3-dione
  参考文献：
  名称：

  1,3-Dioxo-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinolines as potent caspase-3 inhibitors

  摘要：

  Synthesis, biological evaluation and structure-activity relationships for a series of novel nonpeptide small molecule inhibitors of caspase-3 are described. Among the studied compounds, 8-sulfamide derivatives of 1,3-dioxo-4-methyl-2,3-dihydro-1H-pyr-rolo [3,4-c]quinolines have been identified as potent inhibitors of caspases-3. The most active compound within this series (8f) inhibited caspase-3 with IC50 = 4 nM. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.027