3,3-dipentyl-2,3,4,5-tetrahydro-7-dimethylamino-5-(3-aminophenyl)-1,4-benzothiazepine-1,1-dioxide | 670278-64-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 3,3-dipentyl-2,3,4,5-tetrahydro-7-dimethylamino-5-(3-aminophenyl)-1,4-benzothiazepine-1,1-dioxide
• 英文别名: 5-(3-aminophenyl)-N,N-dimethyl-1,1-dioxo-3,3-dipentyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-7-amine；5-(3-aminophenyl)-N,N-dimethyl-1,1-dioxo-3,3-dipentyl-4,5-dihydro-2H-1λ6,4-benzothiazepin-7-amine
• CAS: 670278-64-5
• 化学式: C₂₇H₄₁N₃O₂S
• 分子量: 471.707
• InChiKey: GELGXKGLUMQGOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Novel quaternary ammonium compounds
  申请人：Sasahara Takehiko

  公开号：US20050009805A1

  公开（公告）日：2005-01-13

  [Object] To provide a medicine useful for treatment and prevention of hyperlipidemia, further for the treatment and prevention of cholestasis-accompanying hepatopathy, particularly primary biliary cirrhosis and primary sclerosing cholangitis, and for the treatment and prevention of obesity and fatty liver. [Means] A benzothiazepine compound represented by the following formula (1), having a thioamide bond and a quaternary ammonium substituent.

  提供一种用于治疗和预防高脂血症，尤其是原发性胆汁性肝病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎，以及治疗和预防肥胖和脂肪肝的药物。代表如下式（1）的苯并噻二唑化合物，具有硫酰胺键和季铵基取代基。
• Novel benzothiazepine and bensothiepine compounds
  申请人：Sasahara Takehiko

  公开号：US20070190041A1

  公开（公告）日：2007-08-16

  A pharmaceutical useful as a therapeutic agent and a preventive agent for hyperlipemia, and a pharmaceutical useful as a therapeutic agent and a preventive agent for hepatic disorders associated with cholestasis, particularly, primary biliary cirrhosis and primary sclerosing cholangitis, and a pharmaceutical useful as a therapeutic agent and a preventive agent for obesity, fatty liver and steatohepatitis are provided. A benzothiazepine or benzothiepine compound represented by the following formula (1A) having a thioamide bond and a quaternary ammonium substitutent:

  提供了一种药物，可用作治疗和预防高脂血症的治疗剂和预防剂，以及一种药物，可用作治疗和预防与胆汁淤积有关的肝脏疾病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎的治疗剂和预防剂，以及一种药物，可用作治疗和预防肥胖症、脂肪肝和脂肪性肝炎的治疗剂和预防剂。化合物的苯并噻吩或苯并噻环代表如下式（1A），具有硫酰胺键和季铵取代基：
• NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1719768B1

  公开（公告）日：2012-04-25
• NOVEL QUATERNARY AMMONIUM COMPOUNDS
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1535913B1

  公开（公告）日：2011-11-02
• US7312208B2
  申请人：——

  公开号：US7312208B2

  公开（公告）日：2007-12-25