[1-Bromo-6-(2-butyl-benzofuran-3-carbonyl)-naphthalen-2-yloxy]-acetic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [1-Bromo-6-(2-butyl-benzofuran-3-carbonyl)-naphthalen-2-yloxy]-acetic acid
• 英文别名: 2-[1-bromo-6-(2-butyl-1-benzofuran-3-carbonyl)naphthalen-2-yl]oxyacetic acid
• 化学式: C₂₅H₂₁BrO₅
• 分子量: 481.3
• InChiKey: ZHHHKZSFDMDPEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-bromo-6-(2-butyl-benzofuran-3-carbonyl)-naphthalen-2-ol 、 溴乙酸甲酯 以was obtained as a white solid, mp 163-165° C.的产率得到[1-Bromo-6-(2-butyl-benzofuran-3-carbonyl)-naphthalen-2-yloxy]-acetic acid
  参考文献：
  名称：

  Aryl-oxo-acetic acids useful in the treatment of insulin resistance and

  摘要：

  该发明提供了具有以下结构的I型化合物：##STR1## 其中A为C或N；B为O、S、N或CH.dbd.CH；E为##STR2## 或--X--D；D为##STR3## 或1-12个碳原子的烷基；X为CO、CH(OH)、CH.sub.2或--CH--S-2-苯并噻唑；Y为氢、1-6个碳原子的烷基或卤素；Z为O、S或N；R为氢、1-6个碳原子的烷基、1-6个碳原子的烷氧基、卤素或三氟甲基；R.sup.1为1-12个碳原子的烷基、6-10个碳原子的芳基、7-15个碳原子的芳基烷基、卤素、Het-烷基，其中烷基部分含有1-6个碳原子，或芳基单、二或三取代基，所述取代基选自卤素、1-6个碳原子的烷基、三氟甲基和1-6个碳原子的烷氧基的群；Het为##STR4## G为O、S或N；其余变量如权利要求书所定义，或其药学上可接受的盐，其用于治疗与胰岛素或高血糖相关的代谢紊乱。

  公开号：

  US06110963A1

文献信息

• Aryloxy-acetic acid compounds useful as inhibitors of plasminogen activator inhibitor-1 (PAI-1)
  申请人：Wyeth

  公开号：US20030013732A1

  公开（公告）日：2003-01-16

  This invention provides methods of inhibiting plasminogen activator inhibitor-1 (PAI-1) in a mammal, utilizing compounds of the formula: 1 wherein: A is C or N; B is O, S, N, or CH═CH; 2 X is CO, CH(OH), CH 2 , or —CH—S-2-benzothiazole; Y is H, alkyl, or halo; Z is O, S, or N; R is H, nitro, alkyl, alkoxy, halo, or CF 3 ; R 1 is alkyl, aryl, aralkyl, halo, Het-alkyl, or optionally substituted aryl; Het is 3 G is O, S, or N; R 2 is H, halo, alkyl, or —OR 5 ; R 3 and R 4 are H, halo, alkyl, aryl, nitro, amino, alkylsulfoamide, arylsulfoamide, cycloalkyl, heterocycle, or optionally substituted aryl; R 5 is H, alkyl, —CH(R 7 )R 8 , —C(CH 2 ) n CO 2 R 9 , —C(CH 3 ) 2 CO 2 R 9 , CH(R 7 )(CH 2 ) n CO 2 R 9 , or —CH(R 7 )C 6 H 4 CO 2 R 9 ; R 6 is alkylene; R 7 is H, alkyl, aryl, aralkyl, cycloalkyl, phthalic acid, or Q-alkyl; Q is 4 R 8 is —CO 2 R 11 , —CONHR 11 , tetrazole, or —PO 3 R 11 ; R 9 is H, alkyl, aryl, or aralkyl; W is O, N, or S; R 11 is H, alkyl, aryl, or aralkyl; n=1-6; or a pharmaceutically acceptable salt or ester form thereof.

  本发明提供了一种利用公式化合物抑制哺乳动物中纤溶酶原激活物抑制剂-1（PAI-1）的方法：1其中：A为C或N；B为O、S、N或CH═CH;2X为CO、CH（OH）、CH2或—CH—S-2-苯并噻唑；Y为H、烷基或卤素；Z为O、S或N；R为H、硝基、烷基、烷氧基、卤素或CF3；R1为烷基、芳基、芳基烷基、卤素、Het-烷基或可选取代的芳基；Het为3G为O、S或N；R2为H、卤素、烷基或—OR5；R3和R4为H、卤素、烷基、芳基、硝基、氨基、烷基磺酰胺、芳基磺酰胺、环烷基、杂环、或可选取代的芳基；R5为H、烷基、—CH（R7）R8、—C（CH2）nCO2R9、—C（CH3）2CO2R9、CH（R7）（CH2）nCO2R9或—CH（R7）C6H4CO2R9；R6为烷基；R7为H、烷基、芳基、芳基烷基、环烷基、邻苯二甲酸或Q-烷基；Q为4R8为—CO2R11、—CONHR11、四唑或—PO3R11；R9为H、烷基、芳基或芳基烷基；W为O、N或S；R11为H、烷基、芳基或芳基烷基；n=1-6；或其药学上可接受的盐或酯形式。
• US6110963A
  申请人：——

  公开号：US6110963A

  公开（公告）日：2000-08-29
• US7291639B2
  申请人：——

  公开号：US7291639B2

  公开（公告）日：2007-11-06
• [EN] ARYLOXY-ACETIC ACID COMPOUNDS USEFUL AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1)<br/>[FR] COMPOSES D'ACIDE ARYLOXY-ACETIQUE UTILISES COMME INHIBITEURS DE L'INHIBITEUR -1 (PAI-1) ACTIVEUR DE PLASMINOGENE
  申请人：WYETH CORP

  公开号：WO2003000258A1

  公开（公告）日：2003-01-03

  This invention provides methods of inhibiting plasminogen activator inhibitory (PAI-1) in a mammal, utilizing compounds of the formula: (I) wherein: A is C or N; B is 0, S, N, or CH=CH; E is (II), (III), or -X-D; D is (IV), (V), or alkyl of 1-12 carbon atoms; X is CO, CH(OH), CH2, or -CH-S-2-benzothiazole; Y is H, alkyl, or halo; Z is 0, S, or N; R is H, nitro, alkyl, alkoxy, halo, or CF3; R1 is alkyl, aryl, aralkyl, halo, Het-alkyl, or optionally substituted aryl; Het is (VI) or (VII); G is 0, S, or N; R2 is H, halo, alkyl, or -OR?5; R3 and R4¿ are H, halo, alkyl, aryl, nitro, amino, alkylsulfoamide, arylsulfoamide, cycloalkyl, heterocycle, or optionally substituted aryl; R5 is H, alkyl, -CH(R7)R8, -C(CH¿2?)nCO2R?9¿, -C(CH¿3?)2CO2R?9, CH(R7)(CH¿2)nCO2R9, or -CH(R7)C6H4CO2R9; R6 is alkylene; R7 is H, alkyl, aryl, aralkyl, cycloalkyl, phthalic acid, or Q-alkyl; Q is (VIII), (IX), (X), (XI); R8 is -CO¿2R?11, -CONHR11, tetrazole, or -PO¿3?R?11; R9¿ is H, alkyl, aryl, or aralkyl; W is 0, N, or S; R11 is H, alkyl, aryl, or aralkyl; n = 1-6; or a pharmaceutically acceptable salt or ester form thereof.
• Aryl-oxo-acetic acids useful in the treatment of insulin resistance and
  申请人：American Home Products Corporation

  公开号：US06110963A1

  公开（公告）日：2000-08-29

  This invention provides compounds of Formula I having the structure ##STR1## wherein A is C or N; B is O, S, N, or CH.dbd.CH; E is ##STR2## or --X--D; D is ##STR3## or alkyl of 1-12 carbon atoms; X is CO, CH(OH), CH.sub.2, or --CH--S-2-benzothiazole; Y is hydrogen, alkyl of 1-6 carbon atoms, or halogen; Z is O, S, or N; R is hydrogen, alkyl of 1-6 carbon atoms, alkoxy of 1-6 carbon atoms, halogen, or trifluoromethyl; R.sup.1 is alkyl of 1-12 carbon atoms, aryl of 6-10 carbon atoms, aralkyl of 7-15 carbon atoms, halogen, Het-alkyl wherein the alkyl moiety contains 1-6 carbon atoms, or aryl mono-, di- or tri-substituted with a substituent selected from the group consisting of halogen, alkyl of 1-6 carbon atoms, trifluoromethyl, and alkoxy of 1-6 carbon atoms; Het is ##STR4## G is O, S, or N; and the remaining variables are as defined in claim 1, or a pharmaceutically acceptable salt thereof, which are useful in treating metabolic disorders related to insulin or hyperglycemia.

  该发明提供了具有以下结构的I型化合物：##STR1## 其中A为C或N；B为O、S、N或CH.dbd.CH；E为##STR2## 或--X--D；D为##STR3## 或1-12个碳原子的烷基；X为CO、CH(OH)、CH.sub.2或--CH--S-2-苯并噻唑；Y为氢、1-6个碳原子的烷基或卤素；Z为O、S或N；R为氢、1-6个碳原子的烷基、1-6个碳原子的烷氧基、卤素或三氟甲基；R.sup.1为1-12个碳原子的烷基、6-10个碳原子的芳基、7-15个碳原子的芳基烷基、卤素、Het-烷基，其中烷基部分含有1-6个碳原子，或芳基单、二或三取代基，所述取代基选自卤素、1-6个碳原子的烷基、三氟甲基和1-6个碳原子的烷氧基的群；Het为##STR4## G为O、S或N；其余变量如权利要求书所定义，或其药学上可接受的盐，其用于治疗与胰岛素或高血糖相关的代谢紊乱。