7-Sulfocholic acid | 60320-05-0

• 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
• 英文名称: 7-Sulfocholic acid
• 英文别名: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 60320-05-0
• 化学式: C₂₄H₄₀O₈S
• 分子量: 488.6
• InChiKey: RRVLNNMINXAIKC-OELDTZBJSA-N

物化性质

• 密度：
  1.33±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：1mg/mL； DMSO：0.3mg/mL； PBS（pH 7.2）：1 mg/mL
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  150
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF<br/>[FR] DÉRIVÉS SYNTHÉTIQUES DU 7-SULFATE D'ACIDE CHOLIQUE ET UTILISATIONS DE CEUX-CI
  申请人：HARVARD COLLEGE

  公开号：WO2020117945A8

  公开（公告）日：2020-07-02
• SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：EP3890745A1

  公开（公告）日：2021-10-13
• COMPOSITIONS AND METHODS RELATED TO CHOLIC ACID 7-SULFATE AS A TREATMENT FOR DIABETES
  申请人：President and Fellows of Harvard College

  公开号：US20210315908A1

  公开（公告）日：2021-10-14

  Provided are methods of treating diabetes and/or obesity in a subject in need thereof, and methods of increasing the amount of cholic acid-7-sulfate (CA7S) in a subject. Further provided herein are methods of administering CA7S to a subject. Also provided are compositions and kits comprising cholic acid-7-sulfate, or a salt thereof for use in the treatment of diabetes and/or obesity.
• SMALL MOLECULE MODULATORS OF GUT BACTERIAL BILE ACID METABOLISM
  申请人：President and Fellows of Harvard College

  公开号：US20220204548A1

  公开（公告）日：2022-06-30

  Described herein are methods and compositions related to inhibiting bile salt hydrolase (BSH) and uses thereof. Provided herein is a method for treating a metabolic disorder (e.g., diabetes, obesity), gastrointestinal disease (e.g., a gastrointestinal infection; inflammatory bowel disease (IBD); appendicitis; Crohn's disease (CD); ulcerative colitis (UC); gastritis; enteritis; esophagitis; pancreatitis; diabetes; hepatitis; liver diseases (e.g., Non-alcoholic Fatty Liver Disease (NAFLD); non-alcoholic steatohepatitis (NASH); hepatitis A; hepatitis B; hepatitis C; autoimmune hepatitis; and cirrhosis of the liver) gastroesophageal reflux disease (GERD); celiac disease; diverticulitis; food intolerance; ulcer; infectious colitis; irritable bowel syndrome; leaky gut; and cancer), cancer (e.g., cancer of the digestive system, liver cancer), or an inflammatory disease (e.g., Crohn's disease, inflammatory bowel disease, ulcerative colitis, pancreatitis, hepatitis, appendicitis, gastritis, diverticulitis, celiac disease, food intolerance, enteritis, ulcer, gastroesophageal reflux disease (GERD), psoriatic arthritis, psoriasis, and rheumatoid arthritis) in a subject in need thereof comprising administering to a subject a compound of Formulae (I)-(XVIII).
• [EN] SMALL MOLECULE MODULATORS OF GUT BACTERIAL BILE ACID METABOLISM<br/>[FR] MODULATEURS À PETITES MOLÉCULES DU MÉTABOLISME DES ACIDES BILIAIRES BACTÉRIENS INTESTINAUX
  申请人：HARVARD COLLEGE

  公开号：WO2020231776A1

  公开（公告）日：2020-11-19

  Described herein are methods and compositions related to inhibiting bile salt hydrolase (BSH) and uses thereof. Provided herein is a method for treating a metabolic disorder (e.g., diabetes, obesity), gastrointestinal disease (e.g., a gastrointestinal infection; inflammatory bowel disease (IBD); appendicitis; Crohn's disease (CD); ulcerative colitis (UC); gastritis; enteritis; esophagitis; pancreatitis; diabetes; hepatitis; liver diseases (e.g., Non-alcoholic Fatty Liver Disease (NAFLD); non-alcoholic steatohepatitis (NASH); hepatitis A; hepatitis B; hepatitis C; autoimmune hepatitis; and cirrhosis of the liver) gastroesophageal reflux disease (GERD); celiac disease; diverticulitis; food intolerance; ulcer; infectious colitis; irritable bowel syndrome; leaky gut; and cancer), cancer (e.g., cancer of the digestive system, liver cancer), or an inflammatory disease (e.g., Crohn's disease, inflammatory bowel disease, ulcerative colitis, pancreatitis, hepatitis, appendicitis, gastritis, diverticulitis, celiac disease, food intolerance, enteritis, ulcer, gastroesophageal reflux disease (GERD), psoriatic arthritis, psoriasis, and rheumatoid arthritis) in a subject in need thereof comprising administering to a subject a compound of Formulae (I) -(XVIII).