[4-(4-Benzyl-piperazine-1-yl)-phenyl)-carbamic acid tert-butyl ester | 273727-51-8

• 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: [4-(4-Benzyl-piperazine-1-yl)-phenyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[4-(4-benzylpiperazin-1-yl)phenyl]carbamate
• CAS: 273727-51-8
• 化学式: C₂₂H₂₉N₃O₂
• 分子量: 367.5
• InChiKey: XHBMNVCBUVIFHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-(4-Benzyl-piperazine-1-yl)-phenyl)-carbamic acid tert-butyl ester 、 乙酸乙酯 在 钯 ethyl acetate n-hexane 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以to give the title compound (17.5 g) as white crystals的产率得到(4-哌嗪-1-苯基)-氨基甲酸叔丁酯双盐酸盐
  参考文献：
  名称：

  Benzamide derivatives and their use as ApoB-100 secretion inhibitors

  摘要：

  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。

  公开号：

  US06552022B1
• 作为产物：
  描述：

  4-(4-苄基哌嗪)苯胺 、 三乙胺 、 二碳酸二叔丁酯 在 水 、 碳酸氢钠 、 Brine 、 Sodium sulfate-III 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以to give the title compound (43.5 g) as a solid的产率得到[4-(4-Benzyl-piperazine-1-yl)-phenyl)-carbamic acid tert-butyl ester
  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：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.
• [EN] USE OF THERAPEUTIC BENZAMIDE DERIVATIVES<br/>[FR] UTILISATION DE BENZAMIDES THERAPEUTIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2001097810A2

  公开（公告）日：2001-12-27

  The invention relates to the use of therapeutic benzamide compounds of formula (I). As microsomal triglyceride transfer protein (MTP) inhibitors for treating obesity and post-prandial hyperlipemia.