1,3,7,12-Tetrahydroxycholan-24-oic acid | 63266-89-7

• 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
• 英文名称: 1,3,7,12-Tetrahydroxycholan-24-oic acid
• 英文别名: (4R)-4-[(8S,9S,10S,13R,14S,17R)-1,3,7,12-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: 63266-89-7
• 化学式: C₂₄H₄₀O₆
• 分子量: 424.6
• InChiKey: UYVVLXVBEQAATF-KBXJPTNGSA-N

物化性质

• 沸点：
  621.3±55.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)
• 物理描述：
  Solid

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
• COMPOSITIONS AND METHODS FOR TREATING OBESITY
  申请人：Atheronova Operations, Inc.

  公开号：EP2485738A2

  公开（公告）日：2012-08-15
• Lipodissolving dermatological topical preparation
  申请人：Zadini Filiberto

  公开号：US20070071706A1

  公开（公告）日：2007-03-29

  A dermatological topical preparation such as a cream, a lotion, an emulsion, a paste, an ointment and the likes where a lipo-dissolving emulsifier such as a biliary compound is transdermally delivered through the superficial layers of the skin into the subcutaneous adipose tissue with the use of skin permeability enhancers. Some of these skin permeability enhancers are cyclodextrins, while others are substances which have the peculiar property of enhancing delivery of the lipo-dissolving substance locally into the adipose subcutaneous tissue maximizing subcutaneous uptake while minimizing systemic absorption in order to achieve maximization of local effect.
• Dissolution of arterial cholesterol plaques by pharmacological preparation
  申请人：Zadini P. Filiberto

  公开号：US20070116754A1

  公开（公告）日：2007-05-24

  A pharmacological substance namely a biliary salt or acid or precursor or derivative with emulsifying properties administered into the systemic circulation of a patient via a variety of routes of administration including topical-mucous membrane such as sublingual, topical-dermatological such as via a skin patch, intravenous, subcutaneous, rectal, intramuscular, intradermal, inhalatory in form of inhaled microcrystals, intrarterial, systemic, or via specialized catheter for in loco delivery of the substance, said substance being capable of crossing the fibrous cap of the atherosclerotic plaque to reach and dissolving with its emulsifying properties the cholesterol aggregates and in general the lipidic core within the plaque. The solubilized cholesterol exits the plaque and enters finely dissolved into the systemic circulation leaving behind a plaque emptied of its lipid content: the plague appears as a virtual cavity roofed by the fibrous cap. As a result of this pharmacological action upon the atherosclerotic plaque by the compound, the plaque is no longer vulnerable to rupture and arterial flow is restituted to physiological pre-plaque formation values. This effect on the lipid core of the plaque is expected to reduce and/or eliminate altogether preexisting atherosclerotic lesions and significantly reduce chances of acute and chronic ischemic events.