N-[4-(tert-butyl)benzyl]-N-(4-methyl-3'-nitrobiphenyl-3-yl)oxamic acid | 1019999-34-8

• 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: N-[4-(tert-butyl)benzyl]-N-(4-methyl-3'-nitrobiphenyl-3-yl)oxamic acid
• 英文别名: 2-[N-[(4-tert-butylphenyl)methyl]-2-methyl-5-(3-nitrophenyl)anilino]-2-oxoacetic acid
• CAS: 1019999-34-8
• 化学式: C₂₆H₂₆N₂O₅
• 分子量: 446.503
• InChiKey: AZDADADPAPZZQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• N-Phenyloxamide derivatives
  申请人：YAMAGUCHI Youichi

  公开号：US20080249175A1

  公开（公告）日：2008-10-09

  A compound represented by the following general formula (I) or a salt thereof, or a hydrate thereof or a solvate thereof having an inhibitory action against plasminogen activator inhibitor-1 (PAI-1): wherein R 1 represents a C 6-10 aryl group; or a C 6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, cyano group, nitro group, a C 1-6 alkyl group, a halogenated C 1-6 alkyl group, a C 1-6 alkoxy group, a halogenated C 1-6 alkoxy group and a C 1-6 alkylsulfanyl group, R 2 represents a C 6-10 aryl group; or a C 6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, hydroxy group, a C 1-6 alkyl group, a halogenated C 1-6 alkyl group, a C 1-6 alkoxy group, a halogenated C 1-6 alkoxy group, a C 1-6 alkylsulfanyl group and phenyl group, X represents a single bond or oxygen atom, Z represents a phenylene group or a substituted phenylene group, m represents 0 or 1.

  由以下一般式(I)表示的化合物或其盐，或其水合物或其溶剂合物，具有对纤溶酶原激活酶抑制剂-1（PAI-1）的抑制作用：其中R1表示一个C6-10芳基团；或一个C6-10芳基团，该芳基团取代为从卤原子、氰基、硝基、C1-6烷基、卤代C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基和C1-6烷基硫基等组成的组或组合物，R2表示一个C6-10芳基团；或一个C6-10芳基团，该芳基团取代为从卤原子、羟基、C1-6烷基、卤代C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、C1-6烷基硫基和苯基等组成的组或组合物，X表示一个单键或氧原子，Z表示一个苯基或取代苯基，m表示0或1。
• N-PHENYLOXAMIDIC ACID DERIVATIVE
  申请人：Institute of Medicinal Molecular Design, Inc.

  公开号：EP2072498A1

  公开（公告）日：2009-06-24

  A compound represented by the following general formula (I) or a salt thereof, or a hydrate thereof or a solvate thereof having an inhibitory action against plasminogen activator inhibitor-1 (PAI-1): wherein R1 represents a C6-10 aryl group; or a C6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, cyano group, nitro group, a C1-6 alkyl group, a halogenated C1-6 alkyl group, a C1-6 alkoxy group, a halogenated C1-6 alkoxy group and a C1-6 alkylsulfanyl group, R2 represents a C6-10 aryl group; or a C6-10 aryl group substituted with a group or groups selected from the group consisting of a halogen atom, hydroxy group, a C1-6 alkyl group, a halogenated C1-6 alkyl group, a C1-6 alkoxy group, a halogenated C1-6 alkoxy group, a C1-6 alkylsulfanyl group and phenyl group, X represents a single bond or oxygen atom, Z represents a phenylene group or a substituted phenylene group, m represents 0 or 1.

  由下式通式（I）代表的化合物或其盐或其水合物或其溶液，对纤溶酶原激活物抑制剂-1（PAI-1）具有抑制作用： 其中 R1 代表 C6-10 芳基；或被选自卤素原子、氰基、硝基、C1-6 烷基、卤代 C1-6 烷基、C1-6 烷氧基、卤代 C1-6 烷氧基和 C1-6 烷硫基的一个或多个基团取代的 C6-10 芳基，R2 代表 C6-10 芳基；或被选自卤素原子、羟基、C1-6 烷基、卤代 C1-6 烷基、C1-6 烷氧基、卤代 C1-6 烷氧基、C1-6 烷硫基和苯基的一个或多个基团取代的 C6-10 芳基，X 代表单键或氧原子，Z 代表亚苯基或取代的亚苯基，m 代表 0 或 1。
• US7884234B2
  申请人：——

  公开号：US7884234B2

  公开（公告）日：2011-02-08