2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2,6-bis(2-methyl-1-oxopropyl)- | 35932-10-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酸
• 英文名称: 2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2,6-bis(2-methyl-1-oxopropyl)-
• 英文别名: 2,6-Diisobutyryl-filicinsaeure
• CAS: 35932-10-6
• 化学式: C₁₆H₂₂O₅
• 分子量: 294.348
• InChiKey: DSSWLCNCXUKKIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  91.67
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  间苯三酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 三氟化硼乙醚 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 24.25h， 生成 2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2,6-bis(2-methyl-1-oxopropyl)-
  参考文献：
  名称：

  Analogs of natural phloroglucinols as antagonists against both thromboxane A2 and leukotriene D4

  摘要：

  Antagonists against both thromboxane A2 and leukotriene D4 were prepared from phloroglucinol. These compounds showed almost the same activity as the chinesins which were isolated from Hypericum chinense L. The correlation between the structures and activity was studied in the synthesized and naturally occurring phloroglucinol derivatives.

  DOI：

  10.1021/jm00085a006

文献信息

• Inhibitory Effect of Acylphloroglucinol Derivatives on the Replication of Vesicular Stomatitis Virus
  作者：Kazuhiro Chiba、Takako Takakuwa、Masahiro Tada、Takao Yoshii

  DOI：10.1271/bbb.56.1769

  日期：1992.1

  The antiviral activity of natural phloroglucinols and of synthesized mono- and diacylphloroglucinols, and 2,6-diacyl-4,4-dialkylcyclohexa-1,3,5-triones was investigated. A correlation between the acyl chain length and inhibitory activity against vesicular stomatitis virus (VSV) was observed. Potent antiviral activity was found in di-isovalerylphoroglucinol. 2,6-Diacyl-4,4-dialkylcyclohexa-1,3,5-triones inhibited replication of the virus with low cytotoxicity.

  研究了天然根皮酚类化合物、合成的一元和二元酰基根皮酚类化合物以及2,6-二酰基-4,4-二烷基环己-1,3,5-三酮的抗病毒活性。观察到酰基链长度与对水泡性口炎病毒（VSV）的抑制活性之间的相关性。二异戊酰基根皮酚显示出强大的抗病毒活性。2,6-二酰基-4,4-二烷基环己-1,3,5-三酮具有抑制病毒复制和低细胞毒性的特点。
• Analogs of natural phloroglucinols as antagonists against both thromboxane A2 and leukotriene D4
  作者：Masahiro Tada、Kazuhiro Chiba、Takako Takakuwa、Eri Kojima

  DOI：10.1021/jm00085a006

  日期：1992.4

  Antagonists against both thromboxane A2 and leukotriene D4 were prepared from phloroglucinol. These compounds showed almost the same activity as the chinesins which were isolated from Hypericum chinense L. The correlation between the structures and activity was studied in the synthesized and naturally occurring phloroglucinol derivatives.