3,4,8,9-tetramethyl-12-oxatricyclo[4.4.3.01,6]trideca-3,8-dien-11,13-dione | 25074-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 3,4,8,9-tetramethyl-12-oxatricyclo[4.4.3.01,6]trideca-3,8-dien-11,13-dione
• 英文别名: 3,4,8,9-tetramethyl-12-oxatricyclo[4.4.3.0^1,6]trideca-3,8-dien-11,13-dione
• CAS: 25074-57-1
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.333
• InChiKey: NEEHWYZDRWEBTE-IYBDPMFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3,4,8,9-tetramethyl-12-oxatricyclo[4.4.3.01,6]trideca-3,8-dien-11,13-dione 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 以81%的产率得到3,4,8,9-tetramethyl-cis-bicyclo[4.4.0]decan-3,8-diene-1,6-dicarboxylic acid
  参考文献：
  名称：

  Azapropellanes with Anti-Influenza A Virus Activity

  摘要：

  The synthesis of several [4,4,3], [4,3,3], and [3,3,3]azapropellanes is reported. Several of the novel amines displayed low-micromolar activities against an amantadine-resistant H1N1 strain, but they did not show activity against an amantadine-sensitive H3N2 strain. None of the tested compounds inhibit the influenza A/M2 proton channel function. Most of the compounds did not show cytotoxicity for MDCK cells.

  DOI：

  10.1021/ml500108s
• 作为产物：
  描述：

  2,3-二甲基-1,3-丁二烯 、 丁炔二酸 反应 20.0h， 以65%的产率得到3,4,8,9-tetramethyl-12-oxatricyclo[4.4.3.01,6]trideca-3,8-dien-11,13-dione
  参考文献：
  名称：

  Azapropellanes with Anti-Influenza A Virus Activity

  摘要：

  The synthesis of several [4,4,3], [4,3,3], and [3,3,3]azapropellanes is reported. Several of the novel amines displayed low-micromolar activities against an amantadine-resistant H1N1 strain, but they did not show activity against an amantadine-sensitive H3N2 strain. None of the tested compounds inhibit the influenza A/M2 proton channel function. Most of the compounds did not show cytotoxicity for MDCK cells.

  DOI：

  10.1021/ml500108s