9-Hydroxyandrost-4-ene-3,17-dione | 560-62-3

• 物质功能分类: 生物化工 - 提取物 - 植物提取物
• 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: 9-Hydroxyandrost-4-ene-3,17-dione
• 英文别名: (8S,10S,13S,14S)-9-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
• CAS: 560-62-3
• 化学式: C₁₉H₂₆O₃
• 分子量: 302.4
• InChiKey: SNMVJSSWZSJOGL-DUUFSRSUSA-N

物化性质

• 熔点：
  222-223.5 °C
• 沸点：
  470.3±45.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-Hydroxyandrost-4-ene-3,17-dione 生成 [(8S,9R,10S,13S,14S)-10,13-dimethyl-3,17-dioxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-9-yl] benzenesulfinate
  参考文献：
  名称：

  Process for the preparation of 17.alpha.-hydroxyprogesterones and

  摘要：

  本发明揭示了从雄甾烯生产皮质类固醇的通用过程。本发明提供了一种经济可行的17α-羟基孕酮和皮质类固醇的替代合成方法。

  公开号：

  US04041055A1

文献信息

• [EN] METHODS FOR THE PREPARATION OF DEOXYCHOLIC ACID, AND INTERMEDIATES USEFUL IN THE PREPARATION OF DEOXYCHOLIC ACID<br/>[FR] PROCÉDÉS DE PRÉPARATION DE L'ACIDE DÉSOXYCHOLIQUE, ET INTERMÉDIAIRES UTILISÉS POUR PRÉPARER L'ACIDE DÉSOXYCHOLIQUE
  申请人：BIONICE S L U

  公开号：WO2017211820A1

  公开（公告）日：2017-12-14

  The present invention relates to new and improved processes for the preparation of deoxycholic acid (DCA) and pharmaceutically acceptable salts thereof, as well as to novel intermediates useful for the preparation of DCA and pharmaceutically acceptable salts thereof. The starting compounds are steroids, sterols or fermented phytosterols of vegetable origin, being of formula SM:

  本发明涉及一种新的和改进的制备脱氧胆酸（DCA）及其药学上可接受的盐的方法，以及用于制备DCA及其药学上可接受的盐的新型中间体。起始化合物为植物来源的类固醇、甾醇或发酵植物甾醇，其化学式为SM：
• METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME
  申请人：Moriarty Robert M.

  公开号：US20130261317A1

  公开（公告）日：2013-10-03

  This invention relates generally to methods for preparing certain bile acids from non-mammalian sourced starting materials as well as to synthetic bile acids and compositions comprising such acids wherein the acids are characterized by a different C 14 population than naturally occurring bile acids as well as being free from any mammalian pathogens. This invention is also directed to the synthesis of intermediates useful in the synthesis of such bile acids. Accordingly, the C ring of the steroidal scaffold is oxidized to provide a synthetic route and intermediates to DCA. This invention also provides synthetic methods for preparing deoxycholic acid or a salt thereof starting from aromatic steroids such as estrogen, equilenin, and derivatives thereof. This invention is also directed to intermediates such as 12-oxo or delta-9,11-ene steroids as well as novel processes for their preparation. In preferred embodiments, bile acids are provided herein which have substituents on the B-ring and/or D-ring side chain and optionally on the hydroxy group of the A-ring.

  本发明涉及从非哺乳动物来源的起始材料制备某些胆汁酸的方法，以及合成胆汁酸和包含这些酸的组合物，其中这些酸的特征是具有与自然存在的胆汁酸不同的C14种群，并且不含任何哺乳动物病原体。本发明还涉及合成在合成这种胆汁酸中有用的中间体。因此，甾体骨架的C环被氧化以提供合成路线和到DCA的中间体。本发明还提供了用芳香族类固醇（如雌激素、雌烯酮及其衍生物）起始制备脱氧胆酸或其盐的合成方法。本发明还涉及12-氧代或δ-9,11-烯类固醇等中间体以及其制备的新型过程。在首选实施例中，本发明提供了具有B环和/或D环侧链以及可选地具有A环羟基上取代基的胆汁酸。
• [EN] METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID<br/>[FR] PROCÉDÉS POUR LA PURIFICATION DE L'ACIDE DÉSOXYCHOLIQUE
  申请人：KYTHERA BIOPHARMACEUTICALS INC

  公开号：WO2011075701A2

  公开（公告）日：2011-06-23

  Synthetic methods for preparing deoxycholic acid and intermediates thereof, high purity synthetic deoxycholic acid, compositions and methods of use are provided. Also, provided are processes for the synthesis of 12-keto or 12-α-hydroxysteroids from Δ-9,11-ene, 11-keto or 11-hydroxy-β-steroids. This invention is also directed to novel compounds prepared during the synthesis. This invention is also directed to the synthesis of deoxycholic acid starting from hydrocortisone.

  本发明提供了制备去氧胆酸及其中间体的合成方法，高纯度合成去氧胆酸，以及使用的组合物和方法。还提供了从Δ-9,11-ene，11-keto或11-hydroxy-β-steroids合成12-keto或12-α-hydroxysteroids的过程。本发明还涉及在合成过程中制备的新化合物。本发明还涉及从氢化可的松开始合成去氧胆酸的方法。
• METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID
  申请人：Moriarty Robert M.

  公开号：US20130137884A1

  公开（公告）日：2013-05-30

  Synthetic methods for preparing deoxycholic acid and intermediates thereof, high purity synthetic deoxycholic acid, compositions and methods of use are provided. Also, provided are processes for the synthesis of 12-keto or 12-α-hydroxy-steroids from Δ-9,11-ene, 11-keto or 11-hydroxy-β-steroids. This invention is also directed to novel compounds prepared during the synthesis. This invention is also directed to the synthesis of deoxycholic acid starting from hydrocortisone.

  本发明提供了制备去氧胆酸及其中间体的合成方法、高纯度合成去氧胆酸、组合物和使用方法。此外，还提供了从Δ-9,11-ene、11-keto或11-hydroxy-β-steroids合成12-keto或12-α-hydroxy-steroids的过程。本发明还涉及在合成过程中制备的新化合物。本发明还涉及从氢化可的松开始合成去氧胆酸的方法。
• Preparation of bile acids and intermediates thereof
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：US07994351B2

  公开（公告）日：2011-08-09

  Synthetic methods for preparing deoxycholic acid and intermediates thereof are provided.

  提供了制备去氧胆酸及其中间体的合成方法。