熊硫胆酸 | 88426-32-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 熊硫胆酸
• 英文名称: 3,7-bis(sulfooxy)ursodeoxycholic acid
• 英文别名: ursodeoxycholic acid 3,7-disulfate；ursodeoxycholate-3,7-disulfate；ursulcholic acid；(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 88426-32-8
• 化学式: C₂₄H₄₀O₁₀S₂
• 分子量: 552.708
• InChiKey: BWXSDJHAJWTEAD-UZVSRGJWSA-N

物化性质

• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  181
• 氢给体数：
  3
• 氢受体数：
  10

安全信息

• 储存条件：
  2-8℃，应密闭保存，并放置于干燥处。

反应信息

• 作为产物：
  描述：

  生成 熊硫胆酸
  参考文献：
  名称：

  Process for preparing ursodeoxycholic acid di-sodium 3,7-disulfate

  摘要：

  制备双钠3,7-二硫酸酯的过程包括：a）将熊去氧胆酸与磺酸反应，得到熊去氧胆酸双铵3,7-二硫酸酯；b）用有机钠基或无机钠基处理熊去氧胆酸双铵3,7-二硫酸酯，然后用无机酸处理反应混合物，直到pH达到3.0至4.5，以得到溶液中的熊去氧胆酸双钠3,7-二硫酸酯；c）去除存在的盐（通过过滤），然后通过用有机溶剂稀释来沉淀熊去氧胆酸双钠3,7-二硫酸酯。

  公开号：

  US20060224004A1

文献信息

• Process for producing esters employing hydrolyzable catalysts
  申请人：Kendall Kirby J.

  公开号：US20050240040A1

  公开（公告）日：2005-10-27

  A process for producing esters wherein a carboxylic acid is reacted with an alcohol in the presence of a hydrolyzable catalyst in an aqueous medium under mixing to produce a reaction mixture comprising an organic phase containing ester and an aqueous phase.

  在水性介质中，在混合作用下，通过将羧酸与醇在可水解催化剂存在下反应，生成酯的过程，形成包含酯的有机相和水相的反应混合物。
• Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases
  申请人：Scaramuzzino, Giovanni

  公开号：EP1336602A1

  公开（公告）日：2003-08-20

  New pharmaceutical compounds of general formula (I): F-(X)q where q is an integer from 1 to 5, preferably 1; -F is chosen among drugs described in the text, -X is chosen among 4 groups -M, -T, -V and -Y as described in the text. The compounds of general formula (I) are nitrate prodrugs which can release nitric oxide in vivo in a controlled and selective way and without hypotensive side effects and for this reason they are useful for the preparation of medicines for prevention and treatment of inflammatory, ischemic, degenerative and proliferative diseases of musculoskeletal, tegumental, respiratory, gastrointestinal, genito-urinary and central nervous systems.

  通式（I）的新药物化合物：F-（X）q，其中q是1到5的整数，最好是1；-F是在文本中描述的药物中选择的，-X是在文本中描述的4个组-M，-T，-V和-Y中选择的。通式（I）的化合物是硝酸盐前药，可以在体内以受控和选择性的方式释放一氧化氮，而不会产生降压副作用，因此它们非常适用于制备用于预防和治疗肌肉骨骼，皮肤，呼吸，消化，泌尿和中枢神经系统的炎症，缺血，退行性和增生性疾病的药物。
• Bandiera, Tiziano; Albini, Franca Marione; Albini, Enrico, Synthetic Communications, 1987, vol. 17, # 9, p. 1111 - 1118
  作者：Bandiera, Tiziano、Albini, Franca Marione、Albini, Enrico

  DOI：——

  日期：——
• [EN] A PROCESS FOR PREPARING URSODEOXYCHOLIC ACID DUSULPHATE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF<br/>[FR] PROCESSUS DE PREPARATION DE BISULFATE D'ACIDE URSODEOXYCHOLIQUE ET SELS DE CE COMPOSE REPONDANT AUX NORMES PHARMACEUTIQUES
  申请人：ABC INTERNAT PHARMA S R L

  公开号：WO2003066657A1

  公开（公告）日：2003-08-14

  The process for the preparation of ursodeoxycholic acid di­sulphate or its pharmaceutically acceptable salts comprises the operation of reacting the ursodeoxycholic acid dissolved in a solvent, selected from the group consisting of dimethyl­formamide, pyridine, acetonitrile, dimethyl sulphoxide, oc­tanoic acid, acetic anhydride and their mixtures, with a sul­phation agent selected from the group consisting of sulphuric anhydride, sulphuric acid and complexes containing sulphuric anhydride in a molar ratio of sulphonic groups to ursodeoxy­cholic acid of from 2.5:1 to 4:1.
• [EN] PROCESS FOR PRODUCING ESTERS EMPLOYING HYDROLYZABLE CATALYSTS<br/>[FR] PROCEDE PERMETTANT DE PRODUIRE DES ESTERS AU MOYEN DE CATALYSEURS HYDROLYSABLES
  申请人：SASOL NORTH AMERICA INC

  公开号：WO2005105259A1

  公开（公告）日：2005-11-10

  A process for producing esters wherein a carboxylic acid is reacted with an alcohol in the presence of a hydrolyzable catalyst in an aqueous medium under mixing to produce a reaction mixture comprising an organic phase containing ester and an aqueous phase.