5,6,7,8,9,10-hexahydroanthracene-1,4-diol | 1148033-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,6,7,8,9,10-hexahydroanthracene-1,4-diol
• CAS: 1148033-58-2
• 化学式: C₁₄H₁₆O₂
• 分子量: 216.28
• InChiKey: JLTZLZWOZMXIFM-UHFFFAOYSA-N

物化性质

• 沸点：
  416.2±45.0 °C(predicted)
• 密度：
  1.26±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5,6,7,8,9,10-hexahydroanthracene-1,4-diol 在 氧气 作用下， 以 丙酮 为溶剂， 以30%的产率得到5,6,7,8-tetrahydro-anthracene-1,4-dione
  参考文献：
  名称：

  Bioactivities of simplified adociaquinone B and naphthoquinone derivatives against Cdc25B, MKP-1, and MKP-3 phosphatases

  摘要：

  Some simplified adociaquinone B analogs and a series of 1,4-naphthoquinone derivatives were synthesized and tested against the three enzymes Cdc25B, MKP-1, and MKP-3. Cdc25B and MKP-1 in particular are enzymes overexpressed in human cancer cells, and they represent potential molecular targets for novel cancer chemotherapeutic treatments. A number of analogs exhibited significant inhibitory activity against these enzymes, and the bioassay data in addition to structure-activity relationships of these compounds will be discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.090
• 作为产物：
  描述：

  对苯醌 、 1,2-二甲撑环己烷 在 potassium carbonate 作用下， 以 二氯甲烷 、 二甲基亚砜 、 丙酮 为溶剂， 反应 24.0h， 以90%的产率得到5,6,7,8,9,10-hexahydroanthracene-1,4-diol
  参考文献：
  名称：

  Bioactivities of simplified adociaquinone B and naphthoquinone derivatives against Cdc25B, MKP-1, and MKP-3 phosphatases

  摘要：

  Some simplified adociaquinone B analogs and a series of 1,4-naphthoquinone derivatives were synthesized and tested against the three enzymes Cdc25B, MKP-1, and MKP-3. Cdc25B and MKP-1 in particular are enzymes overexpressed in human cancer cells, and they represent potential molecular targets for novel cancer chemotherapeutic treatments. A number of analogs exhibited significant inhibitory activity against these enzymes, and the bioassay data in addition to structure-activity relationships of these compounds will be discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.090