4-[[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]methyl]benzoic acid

• 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: 4-[[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]methyl]benzoic acid
• 英文别名: 4-[[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-5-yl]phenoxy]methyl]benzoic acid
• 化学式: C₃₄H₄₃NO₆S
• 分子量: 593.8
• InChiKey: MGFSDLBNHSJDQT-ROJLCIKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Novel benzothiepines having activity as inhibitors of lleal bile acid transport and taurocholate uptake
  申请人：G.D. Searle & Co.

  公开号：US20040014803A1

  公开（公告）日：2004-01-22

  Provided are novel benzothiepines, derivatives, and analogs thereof; pharmaceutical compositions containing them; and methods of using these compounds and compositions in medicine, particularly in the prophylaxis and treatment of hyperlipidemic conditions such as those associated with atherosclerosis or hypercholesterolemia, in mammals.

  提供了新型苯硫杂吲哚类化合物及其衍生物和类似物；含有它们的药物组合物；以及在医学中使用这些化合物和组合物的方法，特别是在哺乳动物中预防和治疗高脂血症状，如与动脉粥样硬化或高胆固醇血症相关的情况。
• Novel mono- and di-fluorinated benzothiepine compouds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake
  申请人：G.D. SEARLE, LLC

  公开号：US20040067872A1

  公开（公告）日：2004-04-08

  Mono-fluorinated and di-fluorinated benzothiepine apical sodium co-dependent bile acid transport (ASBT) inhibitors are disclosed together with methods of making the same, methods of using the same to treat hyperlipidemic conditions as well as pharmaceutical compositions containing the same compounds.

  本发明公开了单氟和二氟苯并噻吩顶部钠依赖性胆酸转运体（ASBT）抑制剂，以及制备这些抑制剂的方法，使用这些抑制剂治疗高脂血症的方法，以及含有这些化合物的药物组合物。
• Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake
  申请人：G.D. Searle & Company

  公开号：US20040204478A1

  公开（公告）日：2004-10-14

  Provided are novel benzothiepines, derivatives, and analogs thereof; pharmaceutical compositions containing them; and methods of using these compounds and compositions in medicine, particularly in the prophylaxis and treatment of hyperlipidemic conditions such as those associated with atherosclerosis or hypercholesterolemia, in mammals.

  本发明提供了新型苯并噻吩，其衍生物和类似物；含有它们的制药组合物；以及在医学上使用这些化合物和组合物的方法，特别是在哺乳动物中预防和治疗高脂血症状况，如动脉粥样硬化或高胆固醇血症。
• Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake
  申请人：G.D. SEARLE, LLC

  公开号：US20040176438A1

  公开（公告）日：2004-09-09

  Mono-fluorinated and di-fluorinated benzothiepine apical sodium co-dependent bile acid transport (ASBT) inhibitors are disclosed together with methods of making the same, methods of using the same to treat hyperlipidemic conditions as well as pharmaceutical compositions containing the same compounds.

  本文披露了单氟和双氟苯并噻吩顶部钠依赖性胆汁酸转运体（ASBT）抑制剂的方法，以及制备这些抑制剂的方法，使用这些抑制剂治疗高脂血症状况的方法，以及含有这些化合物的制药组合物。
• Preparation of benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake
  申请人：G.D. Searle & Co.

  公开号：EP1466911A2

  公开（公告）日：2004-10-13

  Methods are provided for preparing benzothiepines, derivatives, and analogs thereof, which have activity as inhibitors of ileal bile acid transport and taurocholate uptake.

  本研究提供了制备苯并噻吩类、其衍生物和类似物的方法，它们具有作为回肠胆汁酸转运和牛磺胆酸盐摄取抑制剂的活性。