12β-hydroxy-3α-acetoxy-5β-cholen-(9(11))-oic acid-(24)-methyl ester | 24637-47-6

• 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: 12β-hydroxy-3α-acetoxy-5β-cholen-(9(11))-oic acid-(24)-methyl ester
• 英文别名: 12β-Hydroxy-3α-acetoxy-5β-cholen-(9(11))-saeure-(24)-methylester；(R)-Methyl 4-((3R,5R,8S,10S,12R,13R,14S,17R)-3-acetoxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate；methyl (4R)-4-[(3R,5R,8S,10S,12R,13R,14S,17R)-3-acetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• CAS: 24637-47-6
• 化学式: C₂₇H₄₂O₅
• 分子量: 446.627
• InChiKey: UHTQPQODRDOCPG-DKXDTHENSA-N

物化性质

• 沸点：
  529.6±50.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 3α-hydroxy-12-oxo-5β-chol-9(11)-en-24-oate 在 吡啶 、 乙醇 、 溶剂黄146 、 铂 作用下， 生成 12β-hydroxy-3α-acetoxy-5β-cholen-(9(11))-oic acid-(24)-methyl ester
  参考文献：
  名称：

  McKenzie; Mattox; Kendall, Journal of Biological Chemistry, 1948, vol. 175, p. 249,262

  摘要：

  DOI：

文献信息

• 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.

  提供了用于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-烯基，11-酮基或11-羟基-β-类固醇合成12-酮基或12-α-羟基类固醇的方法。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。
• PURIFIED DEOXYCHOLIC ACID AND ITS COSMETIC USE IN THE NON-SURGICAL REMOVAL OF UNDESIRABLE FAT DEPOSITS
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：EP3040342A1

  公开（公告）日：2016-07-06

  Compositions of deoxycholic acid (DCA) containing a steroidal DCA precursor or by-product containing a 12.beta.-hydroxy group (in particular 12.beta.-DCA) and their use in a cosmetic method of non-surgical removal of undesirable fat deposits.

  含有甾体 DCA 前体或含有 12.β.-羟基（尤其是 12.β.-DCA）的副产品的脱氧胆酸（DCA）组合物及其在非手术去除不良脂肪沉积的美容方法中的用途。
• Methods for the purification of deoxycholic acid
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：US10005813B2

  公开（公告）日：2018-06-26

  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.

  提供了制备脱氧胆酸及其中间体的合成方法、高纯度合成脱氧胆酸、组合物和使用方法。此外，还提供了从Δ-9,11-烯、11-酮或 11-羟基-β-类固醇合成 12-酮或 12-α-羟基类固醇的工艺。本发明还涉及在合成过程中制备的新型化合物。本发明还涉及从氢化可的松开始合成脱氧胆酸。
• CN116444597
  申请人：——

  公开号：——

  公开（公告）日：——