12-Ketolithocholic acid acetate, methyl ester

• 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: 12-Ketolithocholic acid acetate, methyl ester
• 英文别名: methyl 4-(3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
• 化学式: C₂₇H₄₂O₅
• 分子量: 446.6
• InChiKey: XHQVLSIVZIPGLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  12-Ketolithocholic acid acetate, methyl ester 以99.6的产率得到Methyl deoxycholate 3-acetate
  参考文献：
  名称：

  METHODS FOR THE SYNTHESIS AND PURIFICATION OF DEOXYCHOLIC ACID

  摘要：

  本文提供了脱氧胆酸及其盐的合成和纯化方法。

  公开号：

  US20130085125A1
• 作为产物：
  描述：

  3a-乙酰氧基-12-氧代-5b-胆-9(11)-烯-24-酸甲酯 以83.1的产率得到12-Ketolithocholic acid acetate, methyl ester
  参考文献：
  名称：

  METHODS FOR THE SYNTHESIS AND PURIFICATION OF DEOXYCHOLIC ACID

  摘要：

  本文提供了脱氧胆酸及其盐的合成和纯化方法。

  公开号：

  US20130085125A1

文献信息

• [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。
• [EN] METHODS FOR THE SYNTHESIS AND PURIFICATION OF DEOXYCHOLIC ACID<br/>[FR] PROCÉDÉS DE SYNTHÈSE ET DE PURIFICATION DE L'ACIDE DÉSOXYCHOLIQUE
  申请人：KYTHERA BIOPHARMACEUTICALS INC

  公开号：WO2012174229A2

  公开（公告）日：2012-12-20

  Synthesis and purification of deoxycholic acid and its salts are provided.

  本文提供了脱氧胆酸及其盐的合成和纯化方法。
• METHODS FOR THE SYNTHESIS AND PURIFICATION OF DEOXYCHOLIC ACID
  申请人：Ganley Daniel J.

  公开号：US20130085125A1

  公开（公告）日：2013-04-04

  Synthesis and purification of deoxycholic acid and its salts are provided.

  本文提供了脱氧胆酸及其盐的合成和纯化方法。