2-({[4-(2-{ethyl-[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid | 637015-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-({[4-(2-{ethyl-[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid
• 英文别名: 2-({[4-(2-{Ethyl[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid；2-[[4-[2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]phenyl]sulfanylmethyl]benzoic acid
• CAS: 637015-32-8
• 化学式: C₂₆H₂₄F₃NO₃S
• 分子量: 487.543
• InChiKey: XGLUFCRYDGBRPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  82.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-({[4-(2-{ethyl-[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid 、 金刚烷胺 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 2-({[4-(2-{ethyl[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid adamantylammonium salt
  参考文献：
  名称：

  WO2007/51995

  摘要：

  公开号：
• 作为产物：
  描述：

  N-ethyl-2-(4-{[2-(1H-imidazol-1-ylcarbonyl)benzyl]thio}phenyl)-N-[4-(trifluoromethyl)benzyl]-acetamide 在 盐酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 、 甲基叔丁基醚 为溶剂， 生成 2-({[4-(2-{ethyl-[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid
  参考文献：
  名称：

  WO2007/52001

  摘要：

  公开号：

文献信息

• [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。
• Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance
  申请人：Li Lanna

  公开号：US20050256198A1

  公开（公告）日：2005-11-17

  The present invention provides a compound of formula (I), wherein n is 0, 1 or 2 and R 1 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 and wherein when n is 2 the substituents R 1 may be the same or different; R 2 represents a C 2-8 alkyl 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.

  本发明提供了式(I)的化合物，其中n为0、1或2，R1代表卤素、C1-4烷基，该烷基可选地被一个或多个氟取代，C1-4烷氧基，该烷氧基可选地被一个或多个氟取代，当n为2时，取代基R1可以相同也可以不同；R2代表C2-8烷基，该烷基可选地被氧中断；Y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，制备这种化合物的方法，它们在治疗与胰岛素抵抗有关的临床病症方面的用途，以及包含它们的制药组合物的方法。
• Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance
  申请人：AstraZeneca AB

  公开号：US07355069B2

  公开（公告）日：2008-04-08

  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

  本发明提供了一种式（I）的化合物，其中n为0、1或2，R1表示卤素、C1-4烷基，该烷基可被一个或多个氟原子取代，C1-4烷氧基，该烷氧基可被一个或多个氟原子取代，当n为2时，取代基R1可以相同或不同；R2表示C2-8烷基，该烷基可被氧原子打断；Y不存在或表示亚甲基；X为O或S；以及其药学上可接受的盐和前药。本发明还提供了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方面的用途，以及它们的治疗用途的方法和包含它们的制药组合物。
• ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE
  申请人：AstraZeneca AB

  公开号：EP1517883A1

  公开（公告）日：2005-03-30
• US7355069B2
  申请人：——

  公开号：US7355069B2

  公开（公告）日：2008-04-08