1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine | 501692-63-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine
• 英文别名: 2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,2,5-benzothiadiazepin-8-yl)oxy]acetic acid
• CAS: 501692-63-3
• 化学式: C₂₅H₃₄N₂O₅S₂
• 分子量: 506.687
• InChiKey: GSNNNWFXYCCSLB-UHFFFAOYSA-N

物化性质

• 沸点：
  677.5±65.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine 在 N-甲基吗啉 、 2,6-二甲基吡啶 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.67h， 生成 1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N-((S)-1-carboxypropyl)carbamoyl]-4-hydroxybenzyl})carbamoylmethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine
  参考文献：
  名称：

  BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA

  摘要：

  公开号：

  EP1427423B9
• 作为产物：
  描述：

  1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-ethoxycarbonylmethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine 以92的产率得到1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine
  参考文献：
  名称：

  Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (IBAT) inhibotory activity for the treatment hyperlipidaemia

  摘要：

  本发明涉及公式（I）的化合物，其中Rv，R1，R2，Rx，Ry，M，Rz，v，R3，R4，R5和R6如定义中所述；其药学上可接受的盐，该盐的溶剂，该盐的溶剂和它们的前药，以及它们作为肠末端胆酸转运（IBAT）抑制剂用于治疗高脂血症的用途。还描述了它们的制造过程和含有它们的药物组合物。

  公开号：

  US07132416B2

文献信息

• BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS
  申请人：Albireo AB

  公开号：US20210171483A1

  公开（公告）日：2021-06-10

  The invention relates to 1,2,5-benzothiadiazepine derivatives of formula (I). These compounds are bile acid modulators having apical sodium-dependent bile acid transporter (ASBT) and/or liver bile acid transport (LBAT) inhibitory activity. The invention also relates to pharmaceutical compositions comprising these compounds and to the use of these compounds in the treatment of cardiovascular diseases, fatty acid metabolism and glucose utilization disorders, gastrointestinal diseases and liver diseases.

  该发明涉及式(I)的1,2,5-苯并噻二氮杂环己烷衍生物。这些化合物是胆汁酸调节剂，具有顶部钠依赖性胆汁酸转运蛋白（ASBT）和/或肝胆汁酸转运（LBAT）的抑制活性。该发明还涉及包含这些化合物的药物组合物，并且涉及将这些化合物用于治疗心血管疾病、脂肪酸代谢和葡萄糖利用紊乱、胃肠道疾病和肝脏疾病。
• [EN] BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA<br/>[FR] DERIVES DE BENZOTHIAZEPINE ET DE BENZOTHIADIAZEPINE PRESENTANT UNE ACTIVITE INHIBITRICE DU TRANSPORT DES ACIDES BILIAIRES ILEAUX (IBAT), DESTINES AU TRAITEMENT DE L'HYPERLIPIDEMIE
  申请人：ASTRAZENECA AB

  公开号：WO2003022286A1

  公开（公告）日：2003-03-20

  The present invention relates to compounds of formula (I) wherein R?v, R1, R2, Rx, Ry, M, Rz, v, R3, R4, R5 and R6¿ are as defined within; pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as ileal bile acid transport (IBAT) inhibitors for the treatment of hyperlipidaemia. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  本发明涉及式(I)化合物，其中Rv，R1，R2，Rx，Ry，M，Rz，v，R3，R4，R5和R6是如定义的；其药学上可接受的盐，溶剂，该类盐的溶剂和其前药的用途作为回肠胆酸转运（IBAT）抑制剂，用于治疗高脂血症。还描述了它们的制造过程和含有它们的制药组合物。
• Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia
  申请人：Starke Ingemar

  公开号：US20050038009A1

  公开（公告）日：2005-02-17

  The present invention relates to compounds of formula (I) wherein R v , R 1 , R 2 , R x , R y , M, R z , v, R 3 , R 4 , R 5 and R 6 are as defined within; pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as ileal bile acid transport (IBAT) inhibitors for the treatment of hyperlipidaemia. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  本发明涉及式(I)化合物，其中Rv、R1、R2、Rx、Ry、M、Rz、v、R3、R4、R5和R6的定义如下；药学上可接受的盐、溶剂、这些盐的溶剂和其前药，并且它们的用途是作为追随性胆汁酸转运（IBAT）抑制剂，用于治疗高脂血症。还描述了它们的制造过程和包含它们的制药组合物。
• Benzothiadiazepine compounds and their use as bile acid modulators
  申请人：Albireo AB

  公开号：US11225466B2

  公开（公告）日：2022-01-18

  The invention relates to 1,2,5-benzothiadiazepine derivatives of formula (I). These compounds are bile acid modulators having apical sodium-dependent bile acid transporter (ASBT) and/or liver bile acid transport (LBAT) inhibitory activity. The invention also relates to pharmaceutical compositions comprising these compounds and to the use of these compounds in the treatment of cardiovascular diseases, fatty acid metabolism and glucose utilization disorders, gastrointestinal diseases and liver diseases.

  本发明涉及式（I）的 1,2,5-苯并噻二氮杂卓衍生物。这些化合物是胆汁酸调节剂，具有顶端钠依赖性胆汁酸转运体（ASBT）和/或肝脏胆汁酸转运体（LBAT）抑制活性。本发明还涉及包含这些化合物的药物组合物，以及这些化合物在治疗心血管疾病、脂肪酸代谢和葡萄糖利用障碍、胃肠道疾病和肝脏疾病中的用途。
• [EN] BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] COMPOSES CHIMIQUES
  申请人：——

  公开号：WO2003091232A3

  公开（公告）日：2003-12-24