20-alpha-Hydroxy-5-alpha-pregnan-3-one | 80-93-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 20-alpha-Hydroxy-5-alpha-pregnan-3-one
• 英文别名: (5S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
• CAS: 80-93-3；516-58-5；516-59-6；4406-38-6；22215-65-2；22215-66-3；22342-56-9；23885-50-9；23885-51-0；54353-11-6；57457-21-3；103956-97-4
• 化学式: C₂₁H₃₄O₂
• 分子量: 318.5
• InChiKey: DYVGYXXLXQESJE-OBTSODPWSA-N

物化性质

• 熔点：
  185°
• 比旋光度：
  D +20° (c = 1.2 in chloroform)
• 沸点：
  433.8±18.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• FULVENE AND FULVALENE ANALOGS AND THEIR USE IN TREATING CANCERS
  申请人：Arbiser Jack L.

  公开号：US20080275016A1

  公开（公告）日：2008-11-06

  Compounds, pharmaceutical compositions including the compounds, and methods of preparation and use thereof are disclosed. The compounds are fulvene and/or fulvalene analogs. The compounds and compositions can be used to treat and/or prevent a wide variety of cancers, including drug resistant cancers, as well as numerous inflammatory, degenerative and vascular diseases, including various ocular diseases. Representative fulvene and/or fulvalene analogs include fulvene and fulvalene analogues of various dyes, hormones, sugars, peptides, oligonucleotides, amino acids, nucleotides, nucleosides, and polyols. The compounds are believed to function, at least, by inhibiting Nox or ROS. In some embodiments, the Nox is one that is selectively expressed in cancer cells over normal cells, or one that is expressed in higher amounts in cancer cells over normal cells. Thus, the compounds are novel therapeutic agents for a variety of cancers and other diseases.