(8S,9S,10R,13R,14S,17R)-2-hydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

• 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: (8S,9S,10R,13R,14S,17R)-2-hydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• 化学式: C₂₇H₄₄O₂
• 分子量: 400.6
• InChiKey: NFZDPXCPUNTQJE-WKBSVMCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE<br/>[FR] INHIBITEURS DE RECYCLAGE D'ACIDE BILIAIRE POUR LE TRAITEMENT DE L'ŒSOPHAGE DE BARRETT ET DU REFLUX GASTROŒSOPHAGIEN PATHOLOGIQUE
  申请人：LUMENA PHARMACEUTICALS INC

  公开号：WO2014144485A9

  公开（公告）日：2015-01-15
• BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE
  申请人：Lumena Pharmaceuticals, Inc.

  公开号：EP2968262A1

  公开（公告）日：2016-01-20
• BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE
  申请人：Lumena Pharmaceuticals, Inc.

  公开号：EP2968230A2

  公开（公告）日：2016-01-20
• [EN] BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE<br/>[FR] INHIBITEURS DU RECYCLAGE DE L'ACIDE BILIAIRE POUR LE TRAITEMENT DE L'ANGIOCHOLITE SCLÉROSANTE PRIMAIRE ET DE LA MALADIE INFLAMMATOIRE DE L'INTESTIN
  申请人：LUMENA PHARMACEUTICALS INC

  公开号：WO2014144650A2

  公开（公告）日：2014-09-18

  Provided herein are methods of treating or ameliorating primary sclerosing cholangitis and inflammatory bowel disease by administering to an individual in need thereof a therapeutically effective amount of an Apical Sodium-dependent Bile Acid Transporter Inhibitor (ASBTI) or a pharmaceutically acceptable salt thereof. Also provided are methods for treating or ameliorating primary sclerosing cholangitis comprising administering to an individual in need thereof a therapeutically effective amount of ASBTI or a pharmaceutically acceptable salt thereof.