3-[[(3S,4R,5R)-7-bromo-3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-8-yl]oxy]-4,7-dihydroxy-5,7-dimethyl-2,6-dioxabicyclo[3.1.1]heptane-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[[(3S,4R,5R)-7-bromo-3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-8-yl]oxy]-4,7-dihydroxy-5,7-dimethyl-2,6-dioxabicyclo[3.1.1]heptane-1-carboxylic acid
• 英文别名: 3-[[(3S,4R,5R)-7-bromo-3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1λ6-benzothiepin-8-yl]oxy]-4,7-dihydroxy-5,7-dimethyl-2,6-dioxabicyclo[3.1.1]heptane-1-carboxylic acid
• 化学式: C₃₀H₃₇BrO₁₀S
• 分子量: 669.6
• InChiKey: PAIGHYNUUMKCIF-LGJCBSFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES
  申请人：Lumena Pharmaceuticals, Inc.

  公开号：US20140243281A1

  公开（公告）日：2014-08-28

  Provided herein are pediatric dosage forms for use in the treatment of a pediatric cholestatic liver disease by non-systemically administering to an individual in need thereof a therapeutically effective amount of the pediatric dosage form comprising an Apical Sodium-dependent Bile Acid Transporter Inhibitor (ASBTI) or a pharmaceutically acceptable salt thereof. Also provided are said pediatric dosage form for use in the treatment of a pediatric liver disease, for use in decreasing the levels of serum bile acids or hepatic bile acids, for use in the treatment of pruritis, for use in reducing liver enzymes or bilirubin comprising non-systemically administering to an individual in need thereof a therapeutically effective amount of a pediatric formulation comprising an ASBTI or a pharmaceutically acceptable salt thereof.

  本文提供了用于治疗儿童胆汁淤积性肝病的儿童剂型，通过非系统性给予需要治疗的个体含有顶端钠依赖性胆酸转运体抑制剂（ASBTI）或其药学上可接受的盐的治疗有效量的儿童剂型。还提供了该儿童剂型用于治疗儿童肝病，用于降低血清胆酸或肝胆酸水平，用于治疗瘙痒症，用于减少肝酶或胆红素的儿童制剂，通过非系统性给予需要治疗的个体含有ASBTI或其药学上可接受的盐的治疗有效量。
• BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE
  申请人：Lumena Pharmaceuticals LLC

  公开号：EP3278796A1

  公开（公告）日：2018-02-07

  Provided herein are methods of treating or ameliorating hypercholemia or a cholestatic liver 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 a liver disease, decreasing the levels of serum bile acids or hepatic bile acids, treating or ameliorating pruritis, reducing liver enzymes, or reducing bilirubin comprising administering to an individual in need thereof a therapeutically effective amount of ASBTI or a pharmaceutically acceptable salt thereof.

  本文提供了通过向有需要的个体施用治疗有效量的尖端钠依赖性胆汁酸转运体抑制剂（ASBTI）或其药学上可接受的盐，治疗或改善高胆汁血症或胆汁淤积性肝病的方法。还提供了治疗或改善肝病、降低血清胆汁酸或肝胆汁酸水平、治疗或改善瘙痒症、降低肝酶或降低胆红素的方法，包括向有需要的个体施用治疗有效量的ASBTI或其药学上可接受的盐。
• [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
• [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.
• [EN] BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF GASTROINTESTINAL INFECTIONS<br/>[FR] INHIBITEURS DU RECYCLAGE DE L'ACIDE BILIAIRE POUR LE TRAITEMENT D'INFECTIONS GASTRO-INTESTINALES
  申请人：LUMENA PHARMACEUTICALS INC

  公开号：WO2015065983A1

  公开（公告）日：2015-05-07

  Provided herein are methods for treating or preventing gastrointestinal and/or liver infections utilizing bile acid transport inhibitors and/or enteroendocrine peptide enhancing agents and/or FXR agonists. Also provided herein are methods for increasing the levels of an enteroendocrine peptide or hormone in an individual suffering from a gastrointestinal infection or liver infection utilizing bile acid transport inhibitors and/or enteroendocrine peptide enhancing agents and/or FXR agonists.