(3beta,5beta,7alpha,12alpha)-3,7,12-三羟基胆烷-24-酸 | 3338-16-7

• 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
• 中文名称: (3beta,5beta,7alpha,12alpha)-3,7,12-三羟基胆烷-24-酸
• 中文别名: 3β,5β,7α,12α-3,7,12-三羟基胆烷-24-酸
• 英文名称: cholic acid
• 英文别名: isocholic acid；iso-CA；3β,7α,12α-trihydroxy-5β-cholan-24-oic acid；3β,7α,12α-Trihydroxy-5β-cholan-24-saeure；12α-3β-dihydrocholic acid；12-alpha-3-beta-dihydrocholic acid；3beta,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid；(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 3338-16-7
• 化学式: C₂₄H₄₀O₅
• 分子量: 408.579
• InChiKey: BHQCQFFYRZLCQQ-UXWVVXDJSA-N

物化性质

• 熔点：
  204-207°C
• 溶解度：
  可溶于DMSO（轻微）、乙醇（轻微、超声处理）
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 (3beta,5beta,7alpha,12alpha)-3,7,12-三羟基胆烷-24-酸 在 甲醇 、 乙醚 作用下， 生成 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid methyl ester
  参考文献：
  名称：

  Fuziwara, Proceedings of the Japan Academy, 1955, vol. 31, p. 378

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氧代脱氧胆酸 在 1,4-dihydronicotinamide adenine dinucleotide 、 DL-dithiothreitol 作用下， 以 乙醇 、 水 为溶剂， 反应 30.0h， 生成 (3beta,5beta,7alpha,12alpha)-3,7,12-三羟基胆烷-24-酸
  参考文献：
  名称：

  Enzymic .alpha./.beta. inversion of C-3 hydroxyl of bile acids and study of the effects of organic solvents on reaction rates

  摘要：

  DOI：

  10.1021/jo00236a018

文献信息

• Pharmaceutical compositions of drug-oligomer conjugates and methods of treating diseases therewith
  申请人：——

  公开号：US20030069170A1

  公开（公告）日：2003-04-10

  Pharmaceutical compositions that include a drug-oligomer conjugate, a fatty acid component, and a bile salt component are described. The drug is covalently coupled to an oligomeric moiety. The fatty acid component and the bile salt component are present in a weight-to-weight ratio of between 1:5 and 5:1. Methods of treating diseases in a subject in need of such treatment using such pharmaceutical compositions are also provided, as are methods of providing such pharmaceutical compositions.

  描述了包括药物-寡聚物共轭物、脂肪酸成分和胆盐成分的药物组合物。药物以共价键连接到寡聚物基团上。脂肪酸成分和胆盐成分以1:5至5:1的重量比存在。还提供了利用这种药物组合物治疗需要此类治疗的受试者的方法，以及提供这种药物组合物的方法。
• Pharmaceutical compositions of insulin drug-oligomer conjugates and methods of treating diseases therewith
  申请人：——

  公开号：US20040038866A1

  公开（公告）日：2004-02-26

  Pharmaceutical compositions that include insulin, an insulin drug-oligomer conjugate, a fatty acid component, and a bile salt component or a bile salt component without a fatty acid component are described. The insulin drug is covalently coupled to an oligomeric moiety. The fatty acid component and the bile salt component, when together, can be present in a weight-to-weight ratio of between 1:15 and 15:1. Methods of treating an insulin deficiency in a subject in need of such treatment using such pharmaceutical compositions are also provided, as are methods of providing such pharmaceutical compositions.

  描述了包括胰岛素、胰岛素药物寡聚体共轭物、脂肪酸成分和胆盐成分或不含脂肪酸成分的药物组合物。胰岛素药物与寡聚体部分共价耦合。当脂肪酸成分和胆盐成分一起时，它们的重量比可以在1:15至15:1之间。还提供了使用这种药物组合物治疗需要胰岛素的人体内胰岛素缺乏的方法，以及提供这种药物组合物的方法。
• Pharmaceutical compositions of drug-oligomer conjugates and methods of treating disease therewith
  申请人：——

  公开号：US20040017387A1

  公开（公告）日：2004-01-29

  Pharmaceutical compositions that include a drug and/or drug-oligomer conjugate, a fatty acid component and a bile salt component, or a bile salt component without a fatty acid component are described. The drug can be covalently coupled to an oligomeric moiety. The fatty acid component and the bile salt component, when together, can be present in a weight-to-weight ratio of between 1:15 and 15:1 or any value between. Methods of treating diseases in a subject in need of such treatment using the pharmaceutical compositions of this invention are also provided, as well as methods of providing such pharmaceutical compositions.

  本发明描述了包括药物和/或药物寡聚物共轭物、脂肪酸成分和胆盐成分或仅胆盐成分的制药组合物。药物可以与寡聚物基团共价耦合。当脂肪酸成分和胆盐成分一起存在时，它们的重量比可以在1:15和15:1之间或任何值之间。本发明还提供了使用此制药组合物治疗需要此类治疗的患者的疾病的方法，以及提供此类制药组合物的方法。
• Pharmaceutical compositions containing insulin
  申请人：HADASSAH MEDICAL ORGANIZATION

  公开号：EP0127535A2

  公开（公告）日：1984-12-05

  The invention provides a pharmaceutical composition for the oral administration of insulin comprising insulin, a bile acid or alkali metal salt thereof, the bile acid being selected from the group consisting of cholic acid, chenodeoxycholic acid, taurocholic acid, taurochenodeoxycholic acid, glycocholic acid, glycochenocholic acid, 3β-hydroxy-12- ketocholic acid, 12α-3β-dihydrocholic acid, and ursodesoxycholic acid, and a protease inhibitor, the composition being provided with an enterocoating to assure passage through the stomach and release in the intestine.

  甘氨胆酸、甘胆酸、3β-羟基-12-酮胆酸、12α-3β-二氢胆酸和熊去氧胆酸，以及蛋白酶抑制剂。
• Methods and compositions for oral administration of proteins
  申请人：Oramed Pharmaceuticals Inc.

  公开号：EP2722054A1

  公开（公告）日：2014-04-23

  This invention provides compositions comprising a protein and an omega-3 fatty acid, method for treating diabetes mellitus, comprising administering same, and methods for oral administration of a protein with an enzymatic activity, comprising orally administering same.

  本发明提供了包含蛋白质和欧米伽-3 脂肪酸的组合物、治疗糖尿病的方法（包括给药），以及口服具有酶活性的蛋白质的方法（包括口服给药）。