5beta-Cholestane-3alpha,7alpha,12alpha,24,26-pentol

• 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: 5beta-Cholestane-3alpha,7alpha,12alpha,24,26-pentol
• 英文别名: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
• 化学式: C₂₇H₄₈O₅
• 分子量: 452.7
• InChiKey: CPKBPCHJXMSTOE-OYYINRPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  101
• 氢给体数：
  5
• 氢受体数：
  5

文献信息

• BILE ALCOHOL AND DRUG CONTAINING THE SAME AS ACTIVE INGREDIENT
  申请人：TSUMURA CO., LTD.

  公开号：EP0489933A1

  公开（公告）日：1992-06-17

  A novel bile alcohol of general formula (I), having an efficacious physiological activity and being specified in the configurations of particularly the 20-, 24- and 25-positions; formula (I) wherein one of the groups R₁ and R₂ represents a group of formula (A) or (B) while the other represents -OH or -H; R₃ and R₄ represent each -CH₂OH, -CH₃ or -CH₂OSO₃Na; or alternatively R₂ and R₃ are combined together to represent -OCH₂-, R₂ and R₄ are combined together to represent -OCH₂-, or R₃ and R₄ are combined together to represent -CH₂OCH₂-; provided that R₃ and R₄ do not represent -CH₃ at the same time and that R₁ represents -OH or -H and R₂ represents the group of formula (A) or (B) when R₃ and R₄ represent -CH₂OH at the same time. A drug containing the bile alcohol, including those wherein R₃ and R₄ in the above formula (I) represent each -H, -CH₂OH, -CH₃ or -CH₂OSO₃Na (except for the case where both R₃ and R₄ represent -H at the same time), and 3α 7α, 12α, 24-tetrahydroxy-5α- or -5β-cholane is efficacious as a cerebral function protective agent, cholagogue, cell activator, microcirculation improver, antiarteriosclerotic agent, antihyperlipemia drug, hepatic function improver, anti-inflammatory drug, antithrombotic drug and hypertensive.

  通式（I）的新胆醇具有有效的生理活性，特别是在20、24和25位的构型中进行了指定。其中，R₁和R₂中的一个代表公式（A）或（B）的基团，而另一个代表-OH或-H；R₃和R₄分别代表-CH₂OH、-CH₃或-CH₂OSO₃Na；或者R₂和R₃结合在一起代表-OCH₂-，R₂和R₄结合在一起代表-OCH₂-，或者R₃和R₄结合在一起代表-CH₂OCH₂-；前提是R₃和R₄不能同时表示-CH₃，而且当R₃和R₄同时表示-CH₂OH时，R₁表示-OH或-H，R₂表示公式（A）或（B）的基团。含有胆醇的药物，包括上述公式（I）中R₃和R₄分别表示-H、-CH₂OH、-CH₃或-CH₂OSO₃Na的药物（除了R₃和R₄同时表示-H的情况），以及3α 7α，12α，24-四羟基-5α-或-5β-胆烷作为脑功能保护剂、胆汁促进剂、细胞活化剂、微循环改善剂、抗动脉硬化药、降脂药、肝功能改善剂、抗炎药、抗血栓药和降压药具有有效性。
• 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.
• METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER
  申请人：Haggerty Timothy J.

  公开号：US20140335050A1

  公开（公告）日：2014-11-13

  The invention features methods, compositions, and kits for the administration of an HSP90 inhibitor, OBAA, flunarizine, aphidicolin, damnacanthal, dantrolene, or an analog thereof, alone, or in combination with, e.g., a TAA, an antigen-binding scaffold (e.g., an antibody, a soluble T cell receptor, or a chimeric receptor) specific for a TAA, a cell (e.g., a white blood cell that targets a cancer cell), and/or an IFN-β receptor agonist or an IFN-γ receptor agonist, for the treatment of cancer.