3,6,7,12-四羟基胆烷酸 | 63266-88-6

• 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
• 中文名称: 3,6,7,12-四羟基胆烷酸
• 英文名称: 3,6,7,12-Tetrahydroxy-cholanic acid
• 英文别名: (4R)-4-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-tetrahydroxy-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: 63266-88-6
• 化学式: C₂₄H₄₀O₆
• 分子量: 424.6
• InChiKey: COCMFMBNEAMQMA-OPIZJWLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  30
• 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：
  118
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• Polyhydroxylated bile acids for treatment of biliary disorders
  申请人：Qing Bile Therapeutics Inc.

  公开号：US10543220B2

  公开（公告）日：2020-01-28

  The invention provides, in part, polyhydroxylated bile acids for treating biliary disorders, for example, biliary disorders arising out of cholestasis of portal hypertension. The invention also provides, in part, polyhydroxylated bile acids for stimulating bile flow. New compounds 2α, 3α, 7α, 12α-tetrahydroxy-5β-cholanoic acid and 3α. 4α, 7α, 12α-tetrahydroxy-5β-cholanoic acid are disclosed, uses thereof and synthesis thereof.

  本发明部分提供了用于治疗胆道疾病的多羟基化胆汁酸，例如，门脉高压胆汁淤积引起的胆道疾病。本发明还部分提供了用于刺激胆汁流动的多羟基化胆汁酸。新化合物 2α，3α，7α，12α-四羟基-5β-胆酸和 3α。公开了 4α、7α、12α-四羟基-5β-胆酸及其用途和合成方法。
• POLYHYDROXYLATED BILE ACIDS FOR TREATMENT OF BILIARY DISORDERS
  申请人：British Columbia Cancer Agency Branch

  公开号：EP2470553A1

  公开（公告）日：2012-07-04
• Polyhydroxylated Bile Acids for Treatment of Biliary Disorders
  申请人：Wang Renxue

  公开号：US20110263546A1

  公开（公告）日：2011-10-27

  The invention provides, in part, polyhydroxylated bile acids for treating biliary disorders, for example, biliary disorders arising out of cholestasis or portal hypertension. The invention also provides, in part, polyhydroxylated bile acids for stimulating bile flow.
• COMBINATION OF A POLYHYDROXYLATED BILE ACID AND A FARNESOID X RECEPTOR AGONIST
  申请人：QING BILE THERAPEUTICS INC.

  公开号：US20220227804A1

  公开（公告）日：2022-07-21

  The present invention relates to, in part, a combination therapy of a polyhydroxylated bile acid and a farnesoid X receptor agonist. The present invention also provides, in part, a pharmaceutical composition comprising a farnesoid X receptor agonist and a polyhydroxylated bile acid in the preparation of a medicament for treating a biliary disorder or a gastrointestinal disorder.
• US9295677B2
  申请人：——

  公开号：US9295677B2

  公开（公告）日：2016-03-29