4'-trifluoromethyl-biphenyl-2-carboxylic acid[4-(4-(α-methyl-benzyl)-piperazin-1-yl)-phenyl]-amide | 378230-82-1

• 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: 4'-trifluoromethyl-biphenyl-2-carboxylic acid[4-(4-(α-methyl-benzyl)-piperazin-1-yl)-phenyl]-amide
• 英文别名: 4'-Trifluoromethyl-biphenyl-2-carboxylic acid [4-(4-(alpha-methyl-benzyl)-piperazin-1-yl)-phenyl]-amide；N-[4-[4-(1-phenylethyl)piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• CAS: 378230-82-1
• 化学式: C₃₂H₃₀F₃N₃O
• 分子量: 529.605
• InChiKey: UAAGDZHBEXHZKW-UHFFFAOYSA-N

物化性质

• 沸点：
  583.5±50.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[4-(1-piperazinyl)phenyl]-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxamide 、 (1-溴乙基)苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4'-trifluoromethyl-biphenyl-2-carboxylic acid[4-(4-(α-methyl-benzyl)-piperazin-1-yl)-phenyl]-amide
  参考文献：
  名称：

  Benzamide derivatives and their use as apob-100 and mtp inhibitors

  摘要：

  本发明涉及一种具有如下结构的化合物（I）；其中R1代表异丙基或三氟甲基；R2代表氢、C1-4烷基、氯、氟或三氟甲基；R3代表（i）苯基，可选择由氰基、卤素、三氟甲基或可选择由C1-4烷基取代的5-成员杂芳基取代，（ii）一个可选择由卤素、氰基或C1-4烷基取代的5-成员杂芳基，（iii）氨基甲酰基，或（iv）乙基或乙-1-烯基；R4代表氰基、甲基、乙酰基、一个可选择由C1-4烷基或苯基取代的5-成员杂芳基，或一个X—Y-Z基团；X代表羧基、氧代、C1-6烷基、羧胺基或硫代羧胺基连接基团；Y代表直接键或C1-4烷基，Z代表（i）氢、（ii）三氟甲基、（iii）氰基、（iv）苯基、（v）一个可选择由C1-4烷基取代的5-或6-成员杂芳基，但有一个条件，即当X代表C1-4烷基时，Y和Z不分别代表直接键和氢，或当X代表氧代时，Y和Z不分别代表C1-6烷基和氢；或其生理上可接受的盐、溶剂合物或衍生物，以及包含该化合物的组合物、其制备方法及其在治疗由apoB-100和/或MTP抑制剂改善的疾病中的用途。

  公开号：

  US20040024215A1

文献信息

• BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1289971A1

  公开（公告）日：2003-03-12
• [EN] BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS<br/>[FR] DERIVES DE BENZAMIDE ET LEUR UTILISATION COMME INHIBITEURS D'APOB-100 ET DE MTP
  申请人：GLAXO GROUP LTD

  公开号：WO2001092241A1

  公开（公告）日：2001-12-06

  The present invention relates to a compound of formula (I); wherein R1 represents isopropyl or trifluoromethyl; R2 represents hydrogen, C¿1-4?alkyl, chloro, fluoro or trifluoromethyl; R?3¿ represents(i) phenyl, optionally substituted by cyano, halogen, trifluoromethyl or an optionally substituted 5-membered heteroaromatic group, where optional substitution is effected by C¿1-4?alkyl, (ii) a 5- membered heteroaromatic group, optionally substituted by halogen, cyano or C1-4alkyl, (iii) aminocarbonyl, or(iv) ethyl or eth-1-enyl; R?4¿ represents cyano, methyl, acetyl, a 5- membered heteroaromatic group, optionally substituted by C¿1-4?alkyl or phenyl, or a group X-Y-Z; X represents a carboxy, oxo, C1-6alkylene, carboxamido or thiocarboxamido linking group; Y represents a direct link or C1-6alkylene; Z represents (i) hydrogen, (ii) trifluoromethyl, (iii) cyano, (iv) phenyl, (v) a 5- or 6- membered heteroaromatic group, optionally substituted by C1-4alkyl, with the proviso that when X represents C1-4alkylene, Y and Z do not represent a direct link and hydrogen respectively, or when X represents oxo, Y and Z do not represent C1-6alkylene and hydrogen respectively; or a physiologically acceptable salt, solvate or derivative thereof, to compositions comprising the compound, processes for their preparation and their use in treating conditions ameliorated by an apoB-100 and/or MTP inhibitor.
• Benzamide derivatives and their use as apob-100 and mtp inhibitors
  申请人：——

  公开号：US20040024215A1

  公开（公告）日：2004-02-05

  The present invention relates to a compound of formula (I); wherein R 1 represents isopropyl or trifluoromethyl; R 2 represents hydrogen, C 1-4 alkyl, chloro, fluoro or trifluoromethyl; R 3 represents(i) phenyl, optionally substituted by cyano, halogen, trifluoromethyl or an optionally substituted 5-membered heteroaromatic group, where optional substitution is effected by C 1-4 alkyl, (ii) a 5-membered heteroaromatic group, optionally substituted by halogen, cyano or C 1-4 alkyl, (ii) aminocabonyl, or(iv) ethyl or eth-1-enyl; R 4 represents cyano, methyl, acetyl, a 5-membered heteoaromatic group, optionally substituted by C 1-4 alkyl or phenyl or a group X—Y-Z; X represents a carboxy, oxo, C 1-6 alkylene, carboxamido or thiocarboxamido linking group; Y represents a direct link or C 1-4 alkylene, Z represents (i) hydrogen, (ii) trifluoromethyl, (iii) cyano, (iv) phenyl (v) a 5- or 6-membered heteroaromatic group, optionally substituted by C 1-4 alkyl, with the proviso that when X represents C 1-4 alkylene, Y and Z do not represent a direct link and hydrogen respectively, or when X represents oxo, Y and Z do not represent C 1-6 alkylene and hydrogen respectively; or a physiologically acceptable salt, solvate or derivative thereof, to compositions comprising the compound, processes for their preparation and their use in treating conditions ameliorated by an apoB-100 and/or MTP inhibitor. 1

  本发明涉及一种具有如下结构的化合物（I）；其中R1代表异丙基或三氟甲基；R2代表氢、C1-4烷基、氯、氟或三氟甲基；R3代表（i）苯基，可选择由氰基、卤素、三氟甲基或可选择由C1-4烷基取代的5-成员杂芳基取代，（ii）一个可选择由卤素、氰基或C1-4烷基取代的5-成员杂芳基，（iii）氨基甲酰基，或（iv）乙基或乙-1-烯基；R4代表氰基、甲基、乙酰基、一个可选择由C1-4烷基或苯基取代的5-成员杂芳基，或一个X—Y-Z基团；X代表羧基、氧代、C1-6烷基、羧胺基或硫代羧胺基连接基团；Y代表直接键或C1-4烷基，Z代表（i）氢、（ii）三氟甲基、（iii）氰基、（iv）苯基、（v）一个可选择由C1-4烷基取代的5-或6-成员杂芳基，但有一个条件，即当X代表C1-4烷基时，Y和Z不分别代表直接键和氢，或当X代表氧代时，Y和Z不分别代表C1-6烷基和氢；或其生理上可接受的盐、溶剂合物或衍生物，以及包含该化合物的组合物、其制备方法及其在治疗由apoB-100和/或MTP抑制剂改善的疾病中的用途。