[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] octanoate | 1263482-13-8

• 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: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] octanoate
• CAS: 1263482-13-8
• 化学式: C₂₇H₄₂O₃
• 分子量: 414.629
• InChiKey: CLXVIORKOIJXTK-JJAANBCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  去氢表雄酮 、 辛酰氯 以 甲苯 为溶剂， 生成 [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] octanoate
  参考文献：
  名称：

  Esters of Dehydroepiandrosterone (DHEA) as Probes for the Active Site of Type 3 17β-Hydroxysteroid Dehydrogenase (17β-HSD3)

  摘要：

  我们报告了使用基于类固醇的化合物作为 17β-羟基类固醇脱氢酶活性位点的探针，特别是 3 型（17β-HSD3）。结果表明，这些化合物是 17β-HSD3 的良好抑制剂——其中一些化合物相对于所使用的标准化合物非常有效。

  DOI：

  10.2174/157018010791163505

文献信息

• Conjugated Neuroactive Steroid Compositions And Methods Of Use
  申请人：Marx Christine

  公开号：US20130245253A1

  公开（公告）日：2013-09-19

  The present disclosure provides modified neuroactive steroids. The modified neuroactive steroids may comprise, consist of, or consist essentially of a therapeutic agent and/or a modifying moiety. The modified neuroactive steroid can have modified characteristics as compared to native neuroactive steroids that do not include a modifying moiety and/or therapeutic agent. The modified neuroactive steroid may be, for example, modified pregnenolone, pregnenolone metabolites, allopregnanolone, and/or allopregnanolone metabolites. The modified neuroactive steroids can be used to treat, prevent and/or ameliorating a phenotypic state of interest in a subject.
• [EN] CONJUGATED NEUROACTIVE STEROID COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSITIONS DE STÉROÏDE NEUROACTIF CONJUGUÉ ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV DUKE

  公开号：WO2011120044A1

  公开（公告）日：2011-09-29

  The present disclosure provides modified neuroactive steroids. The modified neuroactive steroids may comprise, consist of, or consist essentially of a therapeutic agent and/or a modifying moiety. The modified neuroactive steroid can have modified characteristics as compared to native neuroactive steroids that do not include a modifying moiety and/or therapeutic agent. The modified neuroactive steroid may be, for example, modified pregnenolone, pregnenolone metabolites, allopregnanolone, and/or allopregnanolone metabolites. The modified neuroactive steroids can be used to treat, prevent and/or ameliorating a phenotypic state of interest in a subject.