1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N'-(2-sulphoethyl)carbamoyl]-4-hydroxybenzyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine | 439087-31-7

• 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: 1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N'-(2-sulphoethyl)carbamoyl]-4-hydroxybenzyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine
• 英文别名: 2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]ethanesulfonic acid；2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]ethanesulfonic acid
• CAS: 439087-31-7
• 化学式: C₃₆H₄₇N₃O₉S₃
• 分子量: 761.982
• InChiKey: MOMVAHBNIJCALH-UUWRZZSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  51
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  222
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-{[(2R)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino}ethanesulphonic acid 、 {[3,3-dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-8-yl]oxy}acetic acid 在 N-甲基吗啉 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以71%的产率得到1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N'-(2-sulphoethyl)carbamoyl]-4-hydroxybenzyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine
  参考文献：
  名称：

  Chemical compounds

  摘要：

  本发明涉及式(I)的化合物：（其中变量团如所定义）药用可接受的盐、溶剂化物、这些盐的溶剂化物以及前药及其作为回肠胆酸转运(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包含它们的药物组合物。

  公开号：

  US20040067933A1

文献信息

• [EN] DIPHENYLAZETIDINONE DERIVATES PROCESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY<br/>[FR] DERIVES DIPHENYLAZETIDINONE PRESENTANT UNE ACTIVITE D'INHIBITION D'ABSORPTION DU CHOLESTEROL
  申请人：ASTRAZENECA AB

  公开号：WO2005061451A1

  公开（公告）日：2005-07-07

  Compounds of formula (XV): [Chemical formula should be inserted here. Please see paper copy] (XV) (wherein variable groups are as defined within) pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as cholesterol absorption inhibitors for the treatment of hyperlipidaemia are described. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  公式（XV）的化合物：[应在此处插入化学公式。请参见纸质副本]（XV）（其中变量组如内部定义）药物可接受的盐、溶剂化物、这些盐的溶剂化物和前药及其用作治疗高脂血症的胆固醇吸收抑制剂。还描述了它们的制造过程和含有它们的药物组合物。
• [EN] DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY<br/>[FR] DERIVES DIPHENYLAZETIDINONE A ACTIVITE INHIBITRICE DE L'ABSORPTION DU CHOLESTEROL
  申请人：ASTRAZENECA AB

  公开号：WO2005061452A1

  公开（公告）日：2005-07-07

  Compounds of formula (I) (wherein variable groups are as defined within) pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as cholesterol absorption inhibitors for the treatment of hyperlipidaemia are described. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  化合物的结构式（其中变量基团如定义所示）及其药学上可接受的盐、溶剂合物、该类盐的溶剂合物和它们的前药，以及它们作为治疗高脂血症的胆固醇吸收抑制剂的用途被描述。还描述了它们的制备方法和含有它们的药物组合物。
• [EN] AMINE SALTS OF (-)-2-{`2-(4-HYDROXYPHENYL) ETHYL!-THIO}-3-`4-(2-{4-`(METHYLSULFONYL)OXY! PHENOXY}ETHYL)PHENYL! PROPANOIC ACID AND THERE USE IN MEDICINE<br/>[FR] SELS AMINE D'ACIDE (-)-2-{`2-(4-HYDROXYPHENYL)ETHYL!-THIO}-3-`4-(2-{4-`(METHYLSULFONYL)OXY!PHENOXY}ETHYL)PHENYL!PROPANOIQUE ET LEUR UTILISATION EN MEDECINE
  申请人：ASTRAZENECA AB

  公开号：WO2004113283A1

  公开（公告）日：2004-12-29

  A tert-butylamine salt, a piperazine salt, a choline salt, a tris(hydroxymethyl)methylamine salt, a lysine salt or an adamantylamine salt of (-)-2-[2-(4-hydroxyphenyl)ethyl]thio}-3-[4-(2-4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]propanoic acid processes for their preparation, their use in treating clinical conditions including lipid disorders (dyslipidemias) whether or not associated with insulin resistance and other manifestations of the metabolic syndrome, and pharmaceutical compositions containing them.

  一种(-)-2-[2-(4-羟基苯基)乙基]硫基}-3-[4-(2-4-[(甲磺氧基)氧基]苯氧基}乙基)苯基]丙酸的叔丁胺盐、哌嗪盐、胆碱盐、三(羟甲基)甲基胺盐、赖氨酸盐或金刚烷胺盐的制备方法，以及它们在治疗临床病症中的应用，包括与胰岛素抵抗和代谢综合征其他表现有关的脂质紊乱（脂质代谢异常），以及含有它们的药物组合物。
• Therapeutic agents
  申请人：Alstermark Lindstedt Eva-Lotte

  公开号：US20050282822A1

  公开（公告）日：2005-12-22

  The present invention provides a compound of formula I processes for preparing such compounds, their the utility in treating clinical conditions including lipid disorders (dyslipidemias) whether or not associated with insulin resistance, methods for their therapeutic use and pharmaceutical compositions containing them.

  本发明提供了一种I式化合物，以及制备这种化合物的方法，它们在治疗临床病症中的应用，包括与胰岛素抵抗有关的脂质紊乱（脂质代谢异常），以及它们的治疗用途和含有它们的药物组合物。
• [EN] POTASSIUM OR SODIUM SALT OF (-)-2-{`2-(4-HYDROXYPHENYL)ETHYL!-THIO-3-`4-(2-{4-`(METHZLSULFONZL) OXY !PHENOXY}PHENYL!PROPANOIC ACID AND THEIR USE IN MEDICINE<br/>[FR] SEL DE POTASSIUM OU DE SODIUM DE L'ACIDE (-)-2-{`2-(4-HYDROXYPHENYL)ETHYL!-THIO-3-`4-(2-{4-`(METHYLSULFONYL) OXY !PHENOXY}ETHYL)PHENYL!PROPANOIQUE ET UTILISATION DE CELUI-CI EN MEDECINE
  申请人：ASTRAZENECA AB

  公开号：WO2004113284A1

  公开（公告）日：2004-12-29

  A potassium salt or a sodium salt of (-)-2-[2-(4-hydroxyphenyl)ethyl]thio}-3-[4-(2-4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]propanoic acid, processes for their preparation, their use in treating clinical conditions including lipid disorders (dyslipidemias) whether or not associated with insulin resistance and other manifestations of the metabolic syndrome, and pharmaceutical compositions containing them.

  (-)-2-[2-(4-羟基苯基)乙基]硫代}-3-[4-(2-4-[(甲磺氧基)氧基]苯氧基}乙基)苯基]丙酸的钾盐或钠盐，其制备方法，它们在治疗包括脂质紊乱（脂质代谢异常）在内的临床病症中的应用，无论是否伴随胰岛素抵抗和代谢综合征的其他表现，并含有它们的药物组合物。