(8R,9R,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

• 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: (8R,9R,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
• 化学式: C₁₉H₂₄O₂
• 分子量: 284.4
• InChiKey: LUJVUUWNAPIQQI-KWWJQKEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  0.68
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• PROCESS FOR PREPARING AROMATIASE INHIBITOR EXEMESTANE
  申请人：Agarwal Virendra Kumar

  公开号：US20100311993A1

  公开（公告）日：2010-12-09

  The present invention discloses modified process for preparing aromatase inhibitor Exemestane involving suitable oxidizing agents in suitable solvents.

  本发明披露了一种改进的工艺，用于制备芳香化酶抑制剂埃替米唑，涉及适当的氧化剂和适当的溶剂。
• Antiandrogens with marginal agonist activity and methods of use
  申请人：——

  公开号：US20040242618A1

  公开（公告）日：2004-12-02

  The instant invention provides potent antiandrogen compounds, such as 3&bgr;-acetoxyandrost-1,5-diene-17-ethylene ketal and 3&bgr;-hydroxyandrost-1,5-diene-17-ethylene ketal, and methods for their use in the prevention and treatment of biological conditions mediated by androgen receptors. Thus, for example, compounds of the invention are useful in the prevention and treatment of prostrate cancer. Furthermore, it has been discovered that compounds of the invention are useful in the prevention and treatment of androgen-independent cancers such as androgen-independent prostrate cancer. Finally, inventive compounds may be used to treat antiandrogen induced withdrawal syndrome.

  本发明提供了强效抗雄激素化合物，例如3β-乙酰氧基雄烯-1,5-二烯-17-乙烯基甲醇和3β-羟基雄烯-1,5-二烯-17-乙烯基甲醇，并提供了它们在预防和治疗由雄激素受体介导的生物状况中的使用方法。因此，例如，本发明的化合物在预防和治疗前列腺癌中很有用。此外，发现本发明的化合物在预防和治疗雄激素非依赖性癌症，例如雄激素非依赖性前列腺癌中很有用。最后，本发明的化合物可用于治疗抗雄激素引起的戒断综合征。
• Aspergillus ochraceus 11 alpha hydroxylase and oxidoreductase
  申请人：Bolten L. Suzanne

  公开号：US20050003473A1

  公开（公告）日：2005-01-06

  The present invention relates to a novel cytochrome P450-like enzyme ( Aspergillus ochraceus 11 alpha hydroxylase) and an oxidoreductase ( Aspergillus ochraceus oxidoreductase) isolated from cDNA library generated from the mRNA of Aspergillus ochraceus spores. When the cDNA encoding the 11 alpha hydroxylase was co-expressed in Spodoptera frugiperda (Sf-9) insect cells with the cDNA encoding human oxidoreductase as an electron donor, it successfully catalyzed the conversion of the steroid substrate 4-androstene-3,17-dione (AD) to 11 alpha-hydroxy-AD as determined by HPLC analysis. The invention also relates to nucleic acid molecules associated with or derived from these cDNAs including complements, homologues and fragments thereof, and methods of using these nucleic acid molecules, to generate, for example, polypeptides and fragments thereof. The invention also relates to the generation of antibodies that recognizes the A. ochraceus 11 alpha hydroxylase and oxidoreductase and methods of using these antibodies to detect the presence of these native and recombinant polypeptides within unmodified and transformed host cells, respectively. The invention also provides methods of expressing the Aspergillus 11 alpha hydroxylase gene separately, or in combination with human or Aspergillus oxidoreductase, in heterologous host cells, to facilitate the bioconversion of steroid substrates to their 11 alpha hydroxy-counterparts.

  本发明涉及一种新型细胞色素P450样酶（曲霉11α-羟化酶）和氧化还原酶（曲霉氧化还原酶），这些酶是从曲霉孢子的mRNA产生的cDNA文库中分离出来的。当编码11α-羟化酶的cDNA与编码人类氧化还原酶的cDNA在斯氏福斯虫细胞中共同表达时，成功地催化了类固醇底物4-雄烯-3,17-二酮（AD）转化为11α-羟基-AD，这是通过HPLC分析确定的。本发明还涉及与这些cDNA相关或衍生的核酸分子，包括其互补物、同源物和片段，以及使用这些核酸分子生成多肽和其片段的方法。本发明还涉及生成识别曲霉11α-羟化酶和氧化还原酶的抗体，以及使用这些抗体检测这些天然和重组多肽在未修改和转化宿主细胞中的存在的方法。本发明还提供在异源宿主细胞中分别或与人类或曲霉氧化还原酶结合表达曲霉11α-羟化酶基因的方法，以促进类固醇底物向其11α-羟基对应物的生物转化。
• Prostate Cancer Treatment
  申请人：Lardy A. Henry

  公开号：US20080070881A1

  公开（公告）日：2008-03-20

  The instant invention provides potent antiandrogen compounds, such as 3β-acetoxyandrost-1,5-diene-17-ethylene ketal and 3β-hydroxyandrost-1,5-diene-17-ethylene ketal, and methods for their use in the prevention and treatment of biological conditions mediated by androgen receptors. Thus, for example, compounds of the invention are useful in the prevention and treatment of prostrate cancer. Furthermore, it has been discovered that compounds of the invention are useful in the prevention and treatment of androgen-independent cancers such as androgen-independent prostrate cancer. Finally, inventive compounds may be used to treat antiandrogen induced withdrawal syndrome.

  本发明提供了强效的抗雄激素化合物，例如3β-乙酰氧基雄烯-1,5-二烯-17-乙烯基酮和3β-羟基雄烯-1,5-二烯-17-乙烯基酮，以及它们在预防和治疗由雄激素受体介导的生物状况中的使用方法。因此，例如，本发明的化合物对于预防和治疗前列腺癌非常有用。此外，发现本发明的化合物对于预防和治疗雄激素非依赖性癌症，例如雄激素非依赖性前列腺癌，也非常有用。最后，本发明的化合物可用于治疗抗雄激素引起的戒断综合征。
• Compounds and Formulations
  申请人：Lardy A. Henry

  公开号：US20080004250A1

  公开（公告）日：2008-01-03

  The instant invention provides potent antiandrogen compounds, such as 3β-acetoxyandrost-1,5-diene-17-ethylene ketal and 3β-hydroxyandrost-1,5-diene-17-ethylene ketal, and methods for their use in the prevention and treatment of biological conditions mediated by androgen receptors. Thus, for example, compounds of the invention are useful in the prevention and treatment of prostrate cancer. Furthermore, it has been discovered that compounds of the invention are useful in the prevention and treatment of androgen-independent cancers such as androgen-independent prostrate cancer. Finally, inventive compounds may be used to treat antiandrogen induced withdrawal syndrome.

  本发明提供了有效的抗雄激素化合物，例如3β-乙酰氧基雄烯-1,5-二烯-17-乙烯基醚和3β-羟基雄烯-1,5-二烯-17-乙烯基醚，及其在预防和治疗由雄激素受体介导的生物状况中的应用方法。例如，本发明的化合物在预防和治疗前列腺癌方面非常有用。此外，已经发现本发明的化合物在预防和治疗雄激素非依赖性癌症，如雄激素非依赖性前列腺癌方面非常有用。最后，本发明的化合物可用于治疗抗雄激素诱导的戒断综合症。