(17β)-2-(1-adamantyl)-estra-1,3,5(10)-triene-3,17-diol

• 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: (17β)-2-(1-adamantyl)-estra-1,3,5(10)-triene-3,17-diol
• 英文别名: (17 beta)-2-(1-Adamantyl)-estra-1,3,5(10)-triene-3,17-diol；(8R,9S,13S,14S,17S)-2-(1-adamantyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• 化学式: C₂₈H₃₈O₂
• 分子量: 406.609
• InChiKey: ODXBOHCGAVECCC-NCGIVSJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.79
• 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-(1-adamantyl)-3-hydroxyestra-1,3,5(10)-trien-17-one 在 sodium borohydrid 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 (17β)-2-(1-adamantyl)-estra-1,3,5(10)-triene-3,17-diol
  参考文献：
  名称：

  Modified, hydroxy-substituted aromatic structures having cytoprotective activity

  摘要：

  本发明涉及具有细胞保护活性的改性、含羟基的芳香环结构。更具体地说，在第一实施例中，本发明涉及酚类化合物，特别是类固醇（例如雌激素），其中非融合的多环、疏水基团附着于其羟基取代的A环上。本发明还涉及一种通过给予化合物的方法，赋予一群细胞细胞保护作用的过程。

  公开号：

  US20020103178A1

文献信息

• MODIFIED, HYDROXY-SUBSTITUTED AROMATIC STRUCTURES HAVING CYTOPROTECTIVE ACTIVITY
  申请人：Covey F. Douglas

  公开号：US20060009438A2

  公开（公告）日：2006-01-12

  Abstract of the Disclosure The present invention is directed to a process for conferring cytoprotection on a population of cells which comprises administering to that population of cells a compound comprising a hydroxy-substituted aromatic ring structure and a non-fused polycyclic, hydrophobic substituent attached thereto. In particular, the present invention is directed to such a process wherein the administered compound is phenolic, such as a steriod (e.g., estrogen), and has a non-fused polycyclic, hydrophobic substituent attached to the hydroxy-substituted A-ring thereof.

  本发明涉及一种用于给细胞群体提供细胞保护的方法，该方法包括向该细胞群体中投与一种化合物，所述化合物包含一个羟基取代的芳香环结构和一个附着于其上的非融合多环、疏水取代基。特别地，本发明涉及一种这样的方法，其中所投与的化合物为酚类，例如类固醇（例如雌激素），并且具有附着于其羟基取代的A环上的非融合多环、疏水取代基。
• Tert-butyl-substituted aromatic steroids having cytoprotective activity
  申请人：Washington University

  公开号：EP1834959A2

  公开（公告）日：2007-09-19

  The present invention is directed to modified, hydroxy-bearing aromatic ring structures having cytoprotective activity. More specifically, in a first embodiment the present invention is directed to phenolic compounds, and in particular steriods (eg., estrogens), hydrophobic substituent is attached to the hydroxy-substituted A-ring thereof. The present invention is further directed to a process for conferring cytoprotection to a population of cells involving the administration of the compound.

  本发明涉及具有细胞保护活性的经修饰的含羟基芳环结构。更具体地说，在第一个实施方案中，本发明涉及酚类化合物，特别是类固醇（如雌激素），疏水取代基连接到其羟基取代的 A 环上。本发明还进一步涉及一种对细胞群赋予细胞保护作用的工艺，该工艺涉及给药该化合物。
• WO2007/62528
  申请人：——

  公开号：——

  公开（公告）日：——
• POLYCYCLIC PHENOLIC COMPOUNDS AND USE IN TREATING VIRAL INFECTIONS
  申请人：Dugourd Dominique

  公开号：US20070161611A1

  公开（公告）日：2007-07-12

  The present invention provides antiviral polycyclic phenolic compounds (PPCs) for use in treating or preventing viral infections and associated conditions, such as infections by Flaviviridae, Hepadnaviridae, Herpesviridae, Papillomaviridae, Retroviridae, Adenoviridae, or respiratory viruses (such as Adenoviridae, Orthomyxoviridae, Paramyxoviridae and Coronaviridae).
• Prodrugs for Use as Ophthalmic Agents
  申请人：Prokai Laszlo

  公开号：US20070213310A1

  公开（公告）日：2007-09-13

  The subject invention provides a mechanism by which steroidal quinol compounds confer beneficial ophthalmic effects. The subject compounds possess a lipophilic-hydrophilic balance for transcorneal penetration and are readily reduced into parent phenolic A-ring steroid compounds to provide protection or treatment against various ocular symptoms and disorders. The compounds according to the subject invention appear to be highly advantageous as prodrugs to provide protection and/or treatment against ocular disorders. These prodrugs confer lipid solubility optimal for transocorneal penetration and are readily converted to endogenous reducing agents into active phenolic A-ring steroid compounds. To the extent that these prodrugs have reduced feminizing effects and systemic toxicity, they would be expected to be quite advantageous for protecting or treating the eye against ocular disorders such as cataract or glaucoma without undesired (systemic) side effects).