3α,12α-dihydroxy-(5β)-cholan-24-oic acid | 83-44-3

• 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: 3α,12α-dihydroxy-(5β)-cholan-24-oic acid
• 英文别名: 3α,12α-Dihydroxycholansaeure；Deoxycholic acid；4-[(3R,12S)-3,12-dihydroxy-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: 83-44-3；570-62-7；570-63-8；1912-55-6；1912-69-2；2569-02-0；2569-04-2；30635-00-8；84848-09-9
• 化学式: C₂₄H₄₀O₄
• 分子量: 392.579
• InChiKey: KXGVEGMKQFWNSR-GPTTVZJUSA-N

物化性质

• 熔点：
  178-180 °C
• 沸点：
  547.1±35.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于丙酮（少许）、DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 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：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36,S37/39
• 危险类别码：
  R22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  29181990
• 危险品运输编号：
  NONH for all modes of transport
• RTECS号：
  FZ2100000

制备方法与用途

生物活性

3α,12β-二羟基胆固醇酸是一种胆汁酸，可以从健康人类的尿液样本中分离得到。

靶点

内源性代谢物

文献信息

• POLYMER-CARBOHYDRATE-LIPID CONJUGATES
  申请人：Wu Nian

  公开号：US20120202890A1

  公开（公告）日：2012-08-09

  The invention comprises compounds, methods of making, and methods of using. The compounds may have a backbone and three appended functional groups: one lipid, one hydrophilic polymer, and one carbohydrate. Specific functional groups may be selected for specific applications in formulating pharmaceuticals, cosmetics, nutriceuticals, and the like. A variety of linkers between the backbone and functional groups may also be selected to optimize performance.

  该发明包括化合物、制备方法和使用方法。这些化合物可能具有一个主干和三个附加的功能基团：一个脂质基团、一个亲水性聚合物基团和一个碳水化合物基团。特定的功能基团可以根据在制备药物、化妆品、营养保健品等方面的具体应用而选择。还可以选择各种连接剂来优化主干和功能基团之间的性能。
• HIGHLY MONODISPERSE BRANCHED PEG-LIPID CONJUGATES
  申请人：Wu Nian

  公开号：US20120232169A1

  公开（公告）日：2012-09-13

  (PEG)-lipid conjugates and methods of preparation are disclosed herein. Methods of preparation may involve stepwise addition of small PEG oligomers to a glycerol backbone until a desired chain size is attained. Polymers resulting from the syntheses may be highly monodisperse. The resulting polymers may comprise branched polyethyleneglycol (PEG)-lipid conjugates. The present disclosure may provide several advantages such as simplified synthesis, high product yield and low cost for starting materials. The present synthesis method may be suitable for preparing a wide range of conjugates such as PEG lipid conjugates having a glycerol-like central backbone covalently attached to two or more monodisperse PEG chains and a lipid comprising a range of diesters made from fatty acids or bile acids.

  本文揭示了(PEG)-脂质共轭物及其制备方法。制备方法可能涉及将小的PEG寡聚体逐步添加到甘油骨架中，直到达到所需的链长。合成产物可能具有高度单分散性。所得的聚合物可能包括分支的聚乙二醇(PEG)-脂质共轭物。本公开可能提供多种优点，如简化合成、高产率和低起始材料成本。本合成方法可能适用于制备各种共轭物，如具有类甘油中心骨架的PEG脂质共轭物，其与两个或更多单分散PEG链和脂质共价连接，并包含一系列由脂肪酸或胆汁酸制成的二酯。
• Opthalmic compositions of cyclosporin
  申请人：Wu Nian

  公开号：US20110033527A1

  公开（公告）日：2011-02-10

  Lipid-polymer compounds are used to solubilize cyclosporin. Diacylglycerol-polyethyleneglycols (DAG-PEGs) are especially useful in this regard. A preferred embodiment of the invention is an aqueous solution of cyclosporin suitable for opthalmic use.
• Pure PEG-lipid conjugates
  申请人：Wu Nian

  公开号：US20110040113A1

  公开（公告）日：2011-02-17

  Syntheses of polyethyleneglycol (PEG)-lipid conjugates are disclosed. Such syntheses involve stepwise addition of small PEG oligomers to a glycerol backbone until the desired chain size is attained. Polymers resulting from the syntheses are highly monodisperse. The present invention provides several advantages such as simplified synthesis, high product yield and low cost for starting materials. The present synthesis method is suitable for preparing a wide range of conjugates. In another aspect, the invention comprises PEG lipid conjugates having a glycerol backbone covalently attached to one or two monodisperse PEG chains and one or two lipids. These conjugates are especially useful for pharmaceutical formulations.