2-{1-Bromo-6-[(3,5-di-tert-butyl-benzoylamino)-methyl]-naphthalen-2-yloxy}-3-phenyl-propionic acid | 479632-40-1

• 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-{1-Bromo-6-[(3,5-di-tert-butyl-benzoylamino)-methyl]-naphthalen-2-yloxy}-3-phenyl-propionic acid
• 英文别名: 2-[1-Bromo-6-[[(3,5-ditert-butylbenzoyl)amino]methyl]naphthalen-2-yl]oxy-3-phenylpropanoic acid
• CAS: 479632-40-1
• 化学式: C₃₅H₃₈BrNO₄
• 分子量: 616.595
• InChiKey: PIUKDWILXQRGGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1)
  申请人：Wyeth

  公开号：US20030045560A1

  公开（公告）日：2003-03-06

  This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: 1 Wherein: Ar is phenyl, naphthyl, furanyl, benzofuranyl, indolyl, pyrazolyl, oxazolyl, fluorenyl, phenylcycloalkane where the cycloalkane can be cyclopropyl, cyclobutyl, cyclopentyl or cyclohexyl and Ar can be optionally substituted by 1 to 3 groups selected from C 1 -C 6 alkyl, C 1 -C 6 alkoxy, hydroxy, phenyl-(CH 2 ) 0-6 —, phenyl-(CH 2 ) 0-6 O—, C 3 -C 6 cycloalkyl, —(CH 2 )—C 3 -C 6 cycloalkyl, halogen, C 1 -C 3 perflouroalkyl and C 1 -C 3 perfluoroalkoxy where phenyl can be substituted with from 1 to 3 groups selected from C 1 -C 6 alkyl, C 1 -C 6 alkoxy, phenyl, halogen, trifluoromethyl or trifluoromethoxy; R 1 is hydrogen, C 1 -C 6 alkyl or phenyl-(CH 2 ) 1-6 — where phenyl can be substituted with C 1 -C 6 alkyl, C 1 -C 6 alkoxy, halo, trifluoromethyl or trifluoromethoxy; R 2 and R 3 are H, C 1 -C 6 alkyl, phenyl-(CH 2 ) 0-3 —, halo and C 1 -C 3 perfluoroalkyl where phenyl can be substituted with C 1 -C 6 alkyl, C 1 -C 6 alkoxy, halo, trifluoromethyl or trifluoromethoxy; R 4 is —CHR 5 CO 2 H or —CH 2 -tetrazole where R 5 is H or benzyl; and n=0 or 1; or a pharmaceutically acceptable salt or ester form thereof.

  这项发明提供了新颖的化合物、药物组合物和治疗哺乳动物血栓性疾病的方法，这些化合物具有以下结构式：1其中：Ar为苯基、萘基、呋喃基、苯并呋喃基、吲哚基、吡唑基、噁唑基、芴基、苯基环烷烃，其中环烷烃可以是环丙基、环丁基、环戊基或环己基，Ar可以选择性地被1至3个来自C1-C6烷基、C1-C6烷氧基、羟基、苯基-(CH2)0-6—、苯基-( )0-6O—、C3-C6环烷基、—( )—C3-C6环烷基、卤素、C1-C3全氟烷基和C1-C3全氟烷氧基的基团取代；R1为氢、C1-C6烷基或苯基-( )1-6—，其中苯基可以被C1-C6烷基、C1-C6烷氧基、卤素、三氟甲基或三氟甲氧基取代；R2和R3为H、C1-C6烷基、苯基-( )0-3—、卤素和C1-C3全氟烷基，其中苯基可以被C1-C6烷基、C1-C6烷氧基、卤素、三氟甲基或三氟甲氧基取代；R4为—CHR5CO2H或— -四唑基，其中R5为H或苄基；n=0或1；或其药用可接受的盐或酯形式。
• 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1)
  申请人：Wyeth

  公开号：EP1397341A1

  公开（公告）日：2004-03-17
• US6589970B2
  申请人：——

  公开号：US6589970B2

  公开（公告）日：2003-07-08
• [EN] 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1)<br/>[FR] DERIVES ACIDES DU 6-(ARYL-AMIDO OU ARYL-AMIDOMETHYL)-NAPHTHALENE-2-YLOXY INHIBITEURS DU PAI-1 (INHIBITEUR DE TYPE-1 DE L'ACTIVATEUR DU PLASMINOGENE)
  申请人：WYETH CORP

  公开号：WO2003000649A1

  公开（公告）日：2003-01-03

  This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula (I), wherein: Ar is phenyl, naphthyl, furanyl, benzofuranyl, indolyl, pyrazolyl, oxazolyl, fluorenyl, phenylcycloalkane where the cycloalkane can be cyclopropyl, cyclobutyl, cyclopentyl or cyclohexyl and Ar can be optionally substituted by one or more groups selected from C1-C6 alkyl, C1-C6 alkoxy, hydroxy, phenyl-(CH2)0-6-, phenyl-(CH2)0-6O-,C3-C6 cycloalkyl, -(CH2)-C3-C6 cycloalkyl, halogen, C1-C3 perflouroalkyl and C1-C3 perfluoroalkoxy where phenyl can be substituted with from one or more groups selected from C1-C6 alkyl, C1-C6 alkoxy, phenyl, halogen, trifluoromethyl and trifluoromethoxy; R1 is hydrogen, C1-C6 alkyl or phenyl-(CH2)1-6- where phenyl can be substituted with C1-C6 alkyl, C1-C6 alkoxy, halo, trifluoromethyl and trifluoromethoxy; R2 and R3 are H, C1-C6 alkyl, phenyl-(CH2)0-3-, halo and C1-C3 perfluoroalkyl where phenyl can be substituted with C1-C6 alkyl, C1-C6 alkoxy, halo, trifluoromethyl and trifluoromethoxy; R4 is -CHR5CO2H or -CH2-tetrazole where R5 is H or benzyl; and n = 0 or 1; or a pharmaceutically acceptable salt or ester form thereof.