1-(3-Cyano-benzyl)-4-(4-nitro-phenyl)-piperazine | 273727-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(3-Cyano-benzyl)-4-(4-nitro-phenyl)-piperazine
• 英文别名: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzonitrile
• CAS: 273727-26-7
• 化学式: C18H18N4O2
• 分子量: 322.4
• InChiKey: KKWHZUFMSWORIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  76.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3-Cyano-benzyl)-4-(4-nitro-phenyl)-piperazine 、 在 二氯甲烷 、 水 、 Sodium sulfate-III 作用下， 以 乙醇 、 四氢呋喃 为溶剂， 反应 16.0h， 以to give the title compound (40.5 g) as pale yellow crystals的产率得到4-[4-(3-cyano-benzyl)-piperazin-1-yl]-phenylamine
  参考文献：
  名称：

  Use of therapeutic benzamide derivatives

  摘要：

  本发明涉及使用式（I）的治疗苯甲酰胺类化合物作为微粒体甘油三酯转移蛋白（MTP）抑制剂，用于治疗肥胖和餐后高脂血症。

  公开号：

  US20040044008A1
• 作为产物：
  描述：

  1-(4-硝基苯基)哌嗪 、 potassium carbonate 、 3-氰基苄基溴 在 丙酮 、 水 、 Sodium sulfate-III 、 ethyl acetate diisopropyl ether 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以to give the title compound (52 g) as orange crystals的产率得到1-(3-Cyano-benzyl)-4-(4-nitro-phenyl)-piperazine
  参考文献：
  名称：

  Use of therapeutic benzamide derivatives

  摘要：

  本发明涉及使用式（I）的治疗苯甲酰胺类化合物作为微粒体甘油三酯转移蛋白（MTP）抑制剂，用于治疗肥胖和餐后高脂血症。

  公开号：

  US20040044008A1

文献信息

• Benzamide derivatives and their use as ApoB-100 secretion inhibitors
  申请人：SmithKline Beecham Corporation

  公开号：US06552022B1

  公开（公告）日：2003-04-22

  The invention relates to therapeutic benzamide compounds of formula (I) wherein A, X, Z, R1, Y, R2, R3, are as defined herein, and physiologically acceptable salts, solvates or derivatives thereof. The present invention also provides pharmaceutical compositions, processes for the preparation of compounds of formula (I) and their use in the treatment of conditions mediated by ApoB-100 regulation.

  本发明涉及公式（I）的治疗苯甲酰胺类化合物，其中A、X、Z、R1、Y、R2、R3如本文所定义，并且其生理上可接受的盐、溶剂化合物或衍生物。本发明还提供了药物组合物、制备公式（I）化合物的方法以及它们在治疗由ApoB-100调节介导的情况下的使用。
• BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1135378A1

  公开（公告）日：2001-09-26
• USE OF THERAPEUTIC BENZAMIDE DERIVATIVES
  申请人：GLAXO GROUP LIMITED

  公开号：EP1286670A2

  公开（公告）日：2003-03-05
• US6552022B1
  申请人：——

  公开号：US6552022B1

  公开（公告）日：2003-04-22
• [EN] BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS<br/>[FR] DERIVES BENZAMIDIQUES ET LEUR UTILISATION COMME INHIBITEURS DE LA SECRETION D'APOB-100
  申请人：GLAXO GROUP LTD

  公开号：WO2000032582A1

  公开（公告）日：2000-06-08

  The invention relates to therapeutic benzamide compounds of formula (I) wherein A represents N or CH; X is selected from the following groups: (i) -C1-6alkylene-, optionally containing one or two double bonds and optionally substituted by one or more hydroxy, C1-6 alkyl, C1-6 alkoxy, C1-6acyl or C1-6acyloxy groups, (ii) oxo, sulfonyl, thioxo, (iii) -C1-6alkylenecarbonyl-, -C1-6alkylenesulfonyl-, -C1-6alkylenethioxo-, (iv) -C2-6alkyleneoxy-, -C2-6alkylenethio-, -C2-6alkylene(N-H or N-C1-6alkyl)amino-, (v) -C1-6alkylenecarboxy-, -C1-6alkylenethioamido-, -C1-6alkylene(N-H or N-C1-6alkyl)carboxamido-, and (vi) -C2-6alkyleneoxycarbonyl-, -C2-6alkylenethiocarbonyl-, -C2-6 alkylene(N-H or N-C1-6alkyl)aminocarbonyl-; Z represents a direct link or -C1-6 alkylene-, optionally containing one double bond and optionally substituted by one or more hydroxy, C1-6 alkyl, C1-6 alkoxy, C1-6 acyl or C1-6 acyloxy groups; R1 is selected from the following groups: (i) hydrogen, C¿1-3?perfluoroalkyl, (ii) C6-10 aryl, C3-8cycloalkyl and fused benz derivatives thereof, C7-10polycycloalkyl, C4-8cycloalkenyl, C7-10polycycloalkenyl, (iii) a heterocyclyl selected from the group consisting of monocyclic radicals and fused polycylic radicals, and (iv) where either X is C1-6alkylene and Z is a direct link, or Z is C1-6alkylene, R?1¿ additionally may represent a halogen, cyano, nitro or C¿1-6?acyl group, wherein, when R?1¿ contains one or more rings, said rings may each independently bear 0 to 4 substituents. Y represents a direct or oxy link, -C¿1-6?alkylene-, -oxyC1-6alkylene- or a heterocyclyl consisting of monocyclic radicals. R?2¿ represents phenyl, C¿3-8?cycloalkyl, or a heterocyclyl consisting of monocyclic radicals, and where each R?2¿ is optionally substituted by one or more groups independently selected from halogen, C¿1-4?alkyl, C1-4alkoxy, C3-8cycloalkyl, C1-3perfluoroalkyl, C1-4perfluoroalkoxy, hydroxycarbonyl, C1-6alkoxycarbonyl, cyano, nitro, C1-4alkylaminosulfonyl; R?3¿ represents hydrogen or one or more groups independently selected from halogen, C¿1-4?alkyl, C1-4alkoxy, C1-3 perfluoroalkyl or C1-3 perfluoroalkoxy; or a physiologically acceptable salt, solvate or derivative thereof, pharmaceutical compositions, to processes for their preparation and their use in the treatment of conditions mediated by ApoB-100 regulation.