(4R,5R)-5-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: (4R,5R)-5-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
• 英文别名: (4R,5R)-5-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol
• 化学式: C40H56N3O4S+
• 分子量: 675.0
• InChiKey: DYAHIYFYQZEHKB-LJEWAXOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  87.2
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• US20140271734A1
  申请人：——

  公开号：US20140271734A1

  公开（公告）日：2014-09-18
• US20140275090A1
  申请人：——

  公开号：US20140275090A1

  公开（公告）日：2014-09-18
• BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES
  申请人：Lumena Pharmaceuticals LLC

  公开号：US20160310518A1

  公开（公告）日：2016-10-27

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