12-甲基苯并(a)蒽-3,9-二醇 | 80150-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 中文名称: 12-甲基苯并(a)蒽-3,9-二醇
• 中文别名: [(p-辛基苯氧基)甲基]噁丙环
• 英文名称: 12-methylbenzanthracene-3,9-diol
• 英文别名: BENZ(a)ANTHRACENE-3,9-DIOL, 12-METHYL-；12-methylbenzo[a]anthracene-3,9-diol
• CAS: 80150-02-3
• 化学式: C₁₉H₁₄O₂
• 分子量: 274.319
• InChiKey: WBTUTWXXSRRUDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(6-methoxy-2-naphthoyl)-4-methoxybenzoic acid 在 氢氧化钾 、 PPA 、 三溴化硼 、 铜 、 锌 作用下， 以 四氢呋喃 、 正庚烷 、 苯 为溶剂， 反应 25.0h， 生成 12-甲基苯并(a)蒽-3,9-二醇
  参考文献：
  名称：

  Antiestrogenic properties of substituted benz[a]anthracene-3,9-diols

  摘要：

  The antiestrogenic potency of benz[a]anthracene-3,9-diol, as well as its 7- and 12-methyl derivatives, was evaluated by measuring he inhibition in the onset of estrus brought about by this compound in ovariectomized rats treated with 17beta-estradiol. At a dose of 0.5 mg and 7,12-dimethyl derivative caused a decrease in the percentage of rats in estrus from 78 to 44%. This decrease is identical with that caused by 0.05 mg of nafoxidine.

  DOI：

  10.1021/jm00345a018

文献信息

• MORREAL, C. E.;SINHA, D. K.;SCHNEIDER, S. L.;BRONSTEIN, R. E.;DAWIDZIK, J+, J. MED. CHEM., 1982, 25, N 3, 323-326
  作者：MORREAL, C. E.、SINHA, D. K.、SCHNEIDER, S. L.、BRONSTEIN, R. E.、DAWIDZIK, J+

  DOI：——

  日期：——
• Antiestrogenic properties of substituted benz[a]anthracene-3,9-diols
  作者：Charles E. Morreal、Dilip K. Sinha、Sara L. Schneider、Robert E. Bronstein、Jean Dawidzik

  DOI：10.1021/jm00345a018

  日期：1982.3

  The antiestrogenic potency of benz[a]anthracene-3,9-diol, as well as its 7- and 12-methyl derivatives, was evaluated by measuring he inhibition in the onset of estrus brought about by this compound in ovariectomized rats treated with 17beta-estradiol. At a dose of 0.5 mg and 7,12-dimethyl derivative caused a decrease in the percentage of rats in estrus from 78 to 44%. This decrease is identical with that caused by 0.05 mg of nafoxidine.