1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-1’-phenyl-1'-[N'-(2-sulphoethyl)carbamoyl]methyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine | 549501-76-0

• 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)-1’-phenyl-1'-[N'-(2-sulphoethyl)carbamoyl]methyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine
• 英文别名: 1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-1'-phenyl-1'-[N'-(2-sulphoethyl)carbamoyl]methyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine；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-phenylacetyl]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-phenylacetyl]amino]ethanesulfonic acid
• CAS: 549501-76-0
• 化学式: C₃₆H₄₇N₃O₈S₃
• 分子量: 745.982
• InChiKey: TZNYQINNVCDAIG-UUWRZZSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  50
• 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：
  201
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• Chemical compounds
  申请人：——

  公开号：US20040067933A1

  公开（公告）日：2004-04-08

  The present invention relates to compounds of the formula (I): (wherein variable groups 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. 1

  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。
• [EN] BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA<br/>[FR] DERIVES D'ACIDE BENZOIQUE UTILISES EN TANT QUE MODULATEURS DE PPAR ALPHA AND GAMMA
  申请人：ASTRAZENECA AB

  公开号：WO2004000295A1

  公开（公告）日：2003-12-31

  A compound of formula (I) wherein R1 represents aryl optionally substituted by a heterocyclic group or a heterocyclic group optionally substituted by aryl wherein each aryl or heterocyclic group is optionally substituted; the group -(CH2)m-T-(CH2)n-U-(CH2)p- is attached at either the 3 or 4 position in the phenyl ring as indicated by the numbers in formula (I) and represents a group selected from one or more of the following: O(CH2)2, O(CH2)3, NC(O)NR4(CH2)2 , CH2S(O2)NR5(CH2)2, CH2N(R6)C(O)CH2, (CH2)2N(R6)C(O)(CH2)2 , C(O)NR7 CH2 , C(O)NR7(CH2 )2 , and CH2N(R6)C(O)CH2O; V represents O, S, NR8, or a single bond;q represents 1, 2 or 3 ; W represents O, S, N(R9)C(O) , NR10,or a single bond;R2 represents halo, a C 1-4 alkyl group which is optionally substituted by one or more fluoro, a C 1-4 alkoxy group which is optionally substituted by one or more fluoro, a C 1-4 acyl group, aryl, an aryl C 1-4 alkyl group, CN or NO2 ; r represents 0, 1, 2 or 3 ; R3 represents halo, a C 1-4 alkyl group which is optionally substituted by one or more fluoro, a C 1-4 alkoxy group which is optionally substituted by one or more fluoro, a C 1-4 acyl group, aryl, an aryl C 1-4 alkyl group, or CN ; s represents 0, 1, 2 or 3 ; and R4, R5, R6 , R7, R8 , R9 and R10 independently represent H, a C 1-10 alkyl group, aryl or an aryl C 1-4 alkyl group or when m is 0 and T represents a group N(R6)C(O) or a group (R5)NS(O2) then R1 and R6 or R1 and R5 together with the nitrogen atom to which they are attached represent a heteroaryl group; with provisos and pharmaceutically acceptable salts thereof, processes for preparing such compounds, their utility in treating clinical conditions associated with insulin resistance, methods for their therapeutic use and pharmaceutical compositions containing them.

  式（I）的化合物，其中R1代表芳基，可选地被杂环基取代，或者被芳基取代的杂环基，其中每个芳基或杂环基可选地被取代；在苯环中的3位或4位之一连接有组-(CH2)m-T-( )n-U-( )p-，如式（I）中的数字所示，并表示从以下一个或多个中选择的组：O( )2，O( )3，NC(O)NR4( )2， S(O2)NR5( )2， N(R6)C(O) ，( )2N(R6)C(O)( )2，C(O)NR7 ，C(O)NR7( )2和 N(R6)C(O) O；V代表O，S，NR8或单键；q代表1、2或3；W代表O，S，N(R9)C(O)，NR10或单键；R2代表卤素，可选地被一个或多个氟取代的C1-4烷基，可选地被一个或多个氟取代的C1-4烷氧基，C1-4酰基，芳基，芳基C1-4烷基，CN或NO2；r代表0、1、2或3；R3代表卤素，可选地被一个或多个氟取代的C1-4烷基，可选地被一个或多个氟取代的C1-4烷氧基，C1-4酰基，芳基，芳基C1-4烷基或CN；s代表0、1、2或3；R4、R5、R6、R7、R8、R9和R10独立地代表H，C1-10烷基，芳基或芳基C1-4烷基，或者当m为0且T代表N(R6)C(O)或(R5)NS(O2)时，R1和R6或R1和R5与它们连接的氮原子一起代表杂芳基；以及其药学上可接受的盐，制备这种化合物的方法，它们在治疗与胰岛素抵抗相关的临床病症中的用途，它们的治疗用途的方法和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] ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE<br/>[FR] DERIVES DE L'ACIDE BENZOIQUE ORTHO-SUBSTITUES DESTINES AU TRAITEMENT DE L'INSULINORESISTANCE
  申请人：ASTRAZENECA AB

  公开号：WO2004000790A1

  公开（公告）日：2003-12-31

  The present invention provides a compound of formula (I), wherein n is 0, 1 or 2 and R1 represents halo, a C1-4alkyl group which is optionally substituted by one or more fluoro, a C1-4alkoxy group which is optionally substituted by one or more fluoro and wherein when n is 2 the substituents R1 may be the same or different; R2 represents a C2-8alkyl group which is optionally interrupted by oxygen; Y is absent or represents methylene; and X is O or S; and pharmaceutically acceptable salts and prodrugs thereof, to processes for preparing such compounds, to their utility in treating clinical conditions associated with insulin resistance, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明提供了一种化合物，其化学式为(I)，其中n为0、1或2，R1代表卤素、一种或多种氟代取代的C1-4烷基基团、一种或多种氟代取代的C1-4烷氧基基团，当n为2时，取代基R1可以相同也可以不同；R2代表一个C2-8烷基基团，可由氧原子中断；Y为不存在或代表亚甲基；X为O或S；以及其药学上可接受的盐和前药，用于制备这种化合物的方法，它们在治疗与胰岛素抵抗相关的临床病况中的用途，以及用于治疗的方法和含有它们的药物组合物。
• Diphenylazetidinone derivatives for treating disorders of the lipid metabolism
  申请人：Starke Ingemar

  公开号：US20050239766A1

  公开（公告）日：2005-10-27

  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.

  本文描述了公式(I)的化合物：(其中变量基团的定义如下)、药学上可接受的盐、该盐的溶剂合物、该盐的溶剂合物的前药及其用作治疗高血脂症的胆固醇吸收抑制剂的用途。还描述了它们的制造过程和含有它们的制药组合物。