1-(4-氯苯基)-2-哌嗪酮盐酸盐(1:1) | 360561-52-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(4-氯苯基)-2-哌嗪酮盐酸盐(1:1)
• 中文别名: 1-(4-氯苯基)哌嗪-2-酮盐酸盐
• 英文名称: 1-(4-Chlorophenyl)piperazin-2-one hydrochloride
• 英文别名: 1-(4-chlorophenyl)piperazin-2-one;hydrochloride
• CAS: 360561-52-0
• 化学式: C₁₀H₁₁ClN₂O*ClH
• 分子量: 247.124
• InChiKey: WLYIAZOMRONFRH-UHFFFAOYSA-N

物化性质

• 熔点：
  192.8-194.8 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[(2-chloro-4-fluorophenyl)carbonyl]-1-(2-chlorophenyl)-2-piperazinone 、 1-(4-氯苯基)-2-哌嗪酮盐酸盐(1:1) 生成 1-(4-chlorophenyl)-4-[(2,3-dichlorophenyl)carbonyl]-2-piperazinone
  参考文献：
  名称：

  4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS

  摘要：

  本发明提供了式（I）的化合物或其药学上可接受的盐：其中：A是C1-6烷基，C3-6环烷基，-CH2-R6，-CHMe-R7，-CMe2-R7或可选地取代的芳基；其中，当A是可选地取代的芳基时，所述芳基基团可选地被1至3个取代基取代，所述取代基可以是相同的或不同的，选自卤素，C1-6烷基，-CF3，C1-4烷氧基，C1氟烷氧基，氰基，NR8R9和吡啶基，其中所述吡啶基可选择地被一个甲基取代；R1是氯，氟，-CF3，氰基或C1-6烷基；R2，R3和R5独立地是氢，氟，氯，-CF3，氰基或C1-6烷基，以至少其中一个R2，R3和R5不是氢；R4是氢。这些化合物和盐被认为是P2X7受体拮抗剂。本发明还提供了治疗疼痛，炎症，类风湿性关节炎，骨关节炎或神经退行性疾病的方法。

  公开号：

  US20100311749A1
• 作为产物：
  描述：

  N-(4-氯苯基)-2-氯乙酰胺 在 盐酸 、 三丁基膦 、 偶氮二甲酸二叔丁酯 作用下， 以 乙酸乙酯 为溶剂， 生成 1-(4-氯苯基)-2-哌嗪酮盐酸盐(1:1)
  参考文献：
  名称：

  通过选择性的分子内光延环脱水有效合成N-芳基哌嗪酮

  摘要：

  描述了由相应的苯胺实际二锅合成N-芳基哌嗪酮。关键的转化是酰胺醇中间体的选择性分子内光延环脱水。制备了一系列N-芳基哌嗪酮，产率高达89％。

  DOI：

  10.1016/s0040-4039(98)01670-0

文献信息

• [EN] 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS<br/>[FR] DÉRIVÉS DE 4-BENZOYL-1-SUBSTITUÉ-PIPÉRAZIN-2-ONE COMME MODULATEURS DE P2X7
  申请人：GLAXO GROUP LTD

  公开号：WO2009053459A1

  公开（公告）日：2009-04-30

  The invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein: A is C1-6alkyl, C3-6cycloalkyl, -CH2-R6, -CHMe-R7, -CMe2-R7, or optionally substituted aryl; wherein, when A is optionally substituted aryl, said aryl group is optionally substituted with 1 to 3 substituents, which may be the same or different, selected from the group consisting of halogen, C1-6alkyl, -CF3, C1-4alkoxy, C1fluoroalkoxy, cyano, NR8R9; and pyridyl wherein the pyridyl is optionally substituted by one methyl; R1 is chlorine, fluorine, -CF3, cyano or C1-6alkyl; R2, R3 and R5 independently are hydrogen, fluorine, chlorine, -CF3, cyano or C1-6alkyl, such that at least one of R2, R3 and R5 is other than hydrogen; R4 is hydrogen. These compounds and salts are thought to be P2X7 receptor antagonists. The invention also provides the use of the compound or salt for the manufacture of a medicament for the treatment of pain, inflammation, rheumatoid arthritis, osteoarthritis, or a neurodegenerative disease.

  该发明提供了一个具有以下式（I）的化合物或其药用盐，其中：A为C1-6烷基，C3-6环烷基，-CH2-R6，-CHMe-R7，-CMe2-R7或可选择地取代的芳基；其中，当A为可选择地取代的芳基时，所述芳基可选择地取代为1至3个取代基，这些取代基可以相同或不同，选自卤素，C1-6烷基，-CF3，C1-4烷氧基，C1氟烷氧基，氰基，NR8R9；和吡啶基，其中吡啶基可选择地被一个甲基取代；R1为氯，氟，-CF3，氰基或C1-6烷基；R2、R3和R5独立地为氢，氟，氯，-CF3，氰基或C1-6烷基，使得R2、R3和R5中至少有一个不是氢；R4为氢。这些化合物和盐被认为是P2X7受体拮抗剂。该发明还提供了该化合物或盐用于制备用于治疗疼痛、炎症、类风湿关节炎、骨关节炎或神经退行性疾病的药物的用途。
• Aryloxy substituted N-arylpiperazinones as dual inhibitors of farnesyltransferase and geranylgeranyltransferase-I
  作者：Jeffrey M Bergman、Marc T Abrams、Joseph P Davide、Ian B Greenberg、Ronald G Robinson、Carolyn A Buser、Hans E Huber、Kenneth S Koblan、Nancy E Kohl、Robert B Lobell、Samuel L Graham、George D Hartman、Theresa M Williams、Christopher J Dinsmore

  DOI：10.1016/s0960-894x(01)00240-2

  日期：2001.6

  A series of aryloxy substituted piperazinones with dual farnesyltransferase/geranylgeranyltransferase-I inhibitory activity was prepared. These compounds were found to have potent inhibitory activity in vitro and are promising agents for the inhibition of Ki-Ras signaling. (C) 2001 Published by Elsevier Science Ltd. All rights reserved.
• 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS
  申请人：Glaxo Group Limited

  公开号：EP2212300A1

  公开（公告）日：2010-08-04
• Efficient synthesis of N-arylpiperazinones via a selective intramolecular Mitsunobu cyclodehydration
  作者：Steven A Weissman、Stephanie Lewis、David Askin、R.P Volante、Paul J Reider

  DOI：10.1016/s0040-4039(98)01670-0

  日期：1998.10

  A practical two pot synthesis of N-arylpiperazinones from the corresponding aniline is described. The key transformation is a selective intramolecular Mitsunobu cyclodehydration of an amidoalcohol intermediate. A series of N-arylpiperazinones were prepared in yields up to 89%.

  描述了由相应的苯胺实际二锅合成N-芳基哌嗪酮。关键的转化是酰胺醇中间体的选择性分子内光延环脱水。制备了一系列N-芳基哌嗪酮，产率高达89％。
• 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS
  申请人：Chambers Laura Jane

  公开号：US20100311749A1

  公开（公告）日：2010-12-09

  The invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein: A is C 1-6 alkyl, C 3-6 cycloalkyl, —CH 2 —R 6 , —CHMe-R 7 , —CMe 2 -R 7 , or optionally substituted aryl; wherein, when A is optionally substituted aryl, said aryl group is optionally substituted with 1 to 3 substituents, which may be the same or different, selected from the group consisting of halogen, C 1-6 alkyl, —CF 3 , C 1-4 alkoxy, C 1 fluoroalkoxy, cyano, NR 8 R 9 , and pyridyl wherein the pyridyl is optionally substituted by one methyl; R 1 is chlorine, fluorine, —CF 3 , cyano or C 1-6 alkyl; R 2 , R 3 and R 5 independently are hydrogen, fluorine, chlorine, —CF 3 , cyano or C 1-6 alkyl, such that at least one of R 2 , R 3 and R 5 is other than hydrogen; R 4 is hydrogen. These compounds and salts are thought to be P2X7 receptor antagonists. The invention also provides for the treatment of pain, inflammation, rheumatoid arthritis, osteoarthritis, or a neurodegenerative disease.

  本发明提供了式（I）的化合物或其药学上可接受的盐：其中：A是C1-6烷基，C3-6环烷基，-CH2-R6，-CHMe-R7，-CMe2-R7或可选地取代的芳基；其中，当A是可选地取代的芳基时，所述芳基基团可选地被1至3个取代基取代，所述取代基可以是相同的或不同的，选自卤素，C1-6烷基，-CF3，C1-4烷氧基，C1氟烷氧基，氰基，NR8R9和吡啶基，其中所述吡啶基可选择地被一个甲基取代；R1是氯，氟，-CF3，氰基或C1-6烷基；R2，R3和R5独立地是氢，氟，氯，-CF3，氰基或C1-6烷基，以至少其中一个R2，R3和R5不是氢；R4是氢。这些化合物和盐被认为是P2X7受体拮抗剂。本发明还提供了治疗疼痛，炎症，类风湿性关节炎，骨关节炎或神经退行性疾病的方法。