2-[[2-[[2-[(3,3-Dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[[2-[[2-[(3,3-Dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid
• 英文别名: 2-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid
• 化学式: C₃₆H₄₅N₃O₇S₂
• 分子量: 695.9
• InChiKey: XFLQIRAKKLNXRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  48
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  176
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• Pharmaceutically useful salts of carboxylic acid derivatives
  申请人：Aurell Carl-Johan

  公开号：US20060142389A1

  公开（公告）日：2006-06-29

  A compound selected from one or more of the following: a (1R,2S)-2-hydroxyindan-1-amine salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino]-2-oxoethoxy}phenyl)propanoic acid; an L-arginine salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino-2-oxoethoxyphenyl)propanoic acid; a tert-butylamine salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino-2-oxoethoxyphenyl)propanoic acid; a choline salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino]-2-oxoethoxy}phenyl)propanoic acid; an adamantylamine salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino]-2-oxoethoxy}phenyl)propanoic acid; a N-benzyl-2-phenylethanaminium salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino]-2-oxoethoxy}phenyl)propanoic acid; a N-benzyl-2-(benzylamino) ethanaminium salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino]-2-oxoethoxy}phenyl)propanoic acid; or a tris(hydroxymethyl)methylamine salt of (2S)-2-ethoxy-3-(4-2-[hexyl(2-phenylethyl)amino]-2-oxoethoxy}phenyl)propanoic acid.

  从以下一个或多个选择的化合物：(1R,2S)-2-羟基茚-1-胺盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基]-2-氧代乙氧基}苯基)丙酸；L-精氨酸盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基-2-氧代乙氧基苯基)丙酸；叔丁基胺盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基-2-氧代乙氧基苯基)丙酸；胆碱盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基]-2-氧代乙氧基}苯基)丙酸；金刚烷胺盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基]-2-氧代乙氧基}苯基)丙酸；N-苄基-2-苯乙胺盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基]-2-氧代乙氧基}苯基)丙酸；N-苄基-2-(苄氨基)乙胺盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基]-2-氧代乙氧基}苯基)丙酸；或三羟甲基甲基胺盐酸盐(2S)-2-乙氧基-3-(4-2-[己基(2-苯乙基)氨基]-2-氧代乙氧基}苯基)丙酸。
• IBAT inhibitors for the treatment of liver diseases
  申请人：Albireo AB

  公开号：US10000528B2

  公开（公告）日：2018-06-19

  The present invention regards specific IBAT inhibitors useful in the prophylaxis and/or treatment of a liver disease. It also relates to compositions comprising these IBAT inhibitors, a method for treatment of the disorders and a kit comprising the substances or the compositions.

  本发明涉及可用于预防和/或治疗肝病的特异性 IBAT 抑制剂。本发明还涉及包含这些 IBAT 抑制剂的组合物、治疗疾病的方法以及包含这些物质或组合物的试剂盒。
• Methods for treating cholestasis
  申请人：Mirum Pharmaceuticals, Inc.

  公开号：US11229647B2

  公开（公告）日：2022-01-25

  Provided herein are methods for treating cholestasis in a subject having a liver disease. The method includes administering to the subject an Apical Sodium-dependent Bile Acid Transporter (ASBTI). More specifically, the present invention relates to methods for treating cholestasis in a subject where the method includes administering an ASBTI to a subject at a dose of at least 10 μg/kg/day.

  本文提供了治疗肝病患者胆汁淤积症的方法。该方法包括向受试者施用尖端钠依赖性胆汁酸转运体（ASBTI）。更具体地说，本发明涉及治疗受试者胆汁淤积症的方法，其中该方法包括以至少10微克/千克/天的剂量向受试者施用ASBTI。
• PHARMACEUTICAL COMBINATION COMPRISING AN IBAT INHIBITOR AND A BILE ACID BINDER
  申请人：Albireo AB

  公开号：US20170182115A1

  公开（公告）日：2017-06-29

  The present invention relates to a combination comprising a substance with inhibiting effect on the ileal bile acid transport system (I BAT) and at least one other active substance selected from an IBAT inhibitor; an enteroendocrine peptide or enhancer thereof; a dipeptidyl peptidase-IV inhibitor; a biguanidine; an incretin mimetic; a thiazolidinone; a PPAR agonist; a HMG Co-A reductase inhibitor; a bile acid binder; and a TGR5 receptor modulator; wherein the IBAT inhibitor compound and the at least one other active substance are adminstered simultaneously, sequentially or separately.
• IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES
  申请人：Albireo AB

  公开号：US20180022776A1

  公开（公告）日：2018-01-25

  The present invention regards specific IBAT inhibitors useful in the prophylaxis and/or treatment of a liver disease. It also relates to compositions comprising these IBAT inhibitors, a method for treatment of the disorders and a kit comprising the substances or the compositions.