1-[2-(4-methylpiperazin-1-ylmethyl)phenyl]ethanone | 628305-82-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(4-methylpiperazin-1-ylmethyl)phenyl]ethanone
• 英文别名: 1-[2-(4-methyl-piperazin-1-yl-methyl)-phenyl]-ethanone；1-[2-(4-methyl-piperazin-1-ylmethyl)-phenyl]-ethanone；1-[2-(4-Methyl-piperazin-1-yl-methyl)phenyl]-ethanone；1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
• CAS: 628305-82-8
• 化学式: C₁₄H₂₀N₂O
• 分子量: 232.326
• InChiKey: RKWDEEINRRHBAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[2-(4-methylpiperazin-1-ylmethyl)phenyl]ethanone 、 3-(4-甲酰基苯基)丙-2-烯酸 在 氢氧化钾 、 乙醇 、 盐酸 作用下， 以 水 、 乙醇 为溶剂， 以70%的产率得到(E)-3-(4-{(E)-3-[2-(4-methyl-piperazin-1-ylmethyl)-phenyl]-3-oxo-propenyl}-phenyl)-acrylic acid bis-hydrochloride
  参考文献：
  名称：

  WO2007/113249

  摘要：

  公开号：
• 作为产物：
  描述：

  N-甲基哌嗪 、 2-乙酰基苯甲醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 以67%的产率得到1-[2-(4-methylpiperazin-1-ylmethyl)phenyl]ethanone
  参考文献：
  名称：

  A new class of histone deacetylase inhibitors

  摘要：

  这项发明涉及新的组蛋白去乙酰化酶抑制剂，其通式为（I），其中：Q是键，CH2，NR5或氧，X是CH或氮，Y是键，CH2，氧或NR6，Z是CH或氮，R1，R2分别是氢或C1-C6烷基，R3，R4分别是氢，卤素，C1-C6烷基，C1-C6烷氧基，C1-C6卤代烷基或C1-C6卤代烷氧基，R5和R6的进一步定义在说明书中，并且其药用盐是可以接受的。

  公开号：

  EP2033956A1

文献信息

• A new class of histone deacetylase inhibitors
  申请人：DAC S.r.l.

  公开号：EP2033956A1

  公开（公告）日：2009-03-11

  This invention is related to new histone deacetylase inhibitors according to the general formula (I) wherein: Q is a bond, CH2, NR5 or oxygen, X is CH or nitrogen, Y is a bond, CH2, oxygen or NR6, Z is CH or nitrogen, R1, R2 are, independently, hydrogen or C1-C6 alkyl, R3, R4 are, independently, hydrogen, halogen, C1-C6 alkyl, C1-C6 alkoxy, C1-C6 haloalkyl or C1-C6 haloalkoxy, and R5 and R6 are as further defined in the specification, and pharmaceutical acceptable salts thereof.

  这项发明涉及新的组蛋白去乙酰化酶抑制剂，其通式为（I），其中：Q是键，CH2，NR5或氧，X是CH或氮，Y是键，CH2，氧或NR6，Z是CH或氮，R1，R2分别是氢或C1-C6烷基，R3，R4分别是氢，卤素，C1-C6烷基，C1-C6烷氧基，C1-C6卤代烷基或C1-C6卤代烷氧基，R5和R6的进一步定义在说明书中，并且其药用盐是可以接受的。
• Amino-functional chalcones
  申请人：Nielsen Feldbaek Simone

  公开号：US20060052600A1

  公开（公告）日：2006-03-09

  The invention provides novel amino-functionalised chalcone derivatives and analogues thereof. Use of the compounds, or compositions comprising them, as pharmaceutically active agents, in particular against bacterial and parasitic infections, is also disclosed. The invention further relates to a method for detecting inhibitory effects against e.g., bacteria, parasites, fungi, and helminths. The chalcones of the invention carry amino substituents and exhibit enhanced biological effects combined with improved metabolic and physicochemical properties, making the compounds useful as drug substances, in particular as antiparasitic, and bacteriocidal agents.

  本发明提供了新型氨基功能化的查尔酮衍生物及其类似物。本发明还揭示了将该化合物或包含其的组合物用作药物活性剂，特别是用于治疗细菌和寄生虫感染。本发明还涉及一种检测抑制细菌、寄生虫、真菌和蠕虫等的方法。本发明的查尔酮具有氨基取代基，具有增强的生物效应和改善的代谢和物理化学性质，使该化合物可用作药物物质，特别是作为抗寄生虫和杀菌剂。
• Aminoalkoxy-functional chalcones
  申请人：Nielsen Feldbaek Simon

  公开号：US20050227990A1

  公开（公告）日：2005-10-13

  The invention provides novel alkoxyaminochalcone derivatives and analogues thereof. Use of the compounds, or compositions comprising them, as pharmaceutically active agents, in particular against bacterial and parasitic infections, is also disclosed. The invention further relates to a method for detecting inhibitory effects against e.g., bacteria, parasites, fungi, and helminths. The chalcones of the invention carry amino substituents and exhibit enhanced biological effects combined with improved metabolic and physicochemical properties, making the compounds useful as drug substances, in particular as antiparasitic, bacteriostatic, and bacteriocidal agents.

  本发明提供了新型的烷氧基氨基查尔酮衍生物及其类似物。本发明还揭示了将该化合物或包含它们的组合物用作药物活性剂，特别是用于对抗细菌和寄生虫感染。本发明还涉及一种检测抑制作用的方法，例如对细菌、寄生虫、真菌和蠕虫的抑制作用。本发明的查尔酮带有氨基取代基，并展示出增强的生物效应和改善的代谢和物理化学性质，使得该化合物可用作药物物质，特别是作为抗寄生虫、细菌静止和杀菌剂。
• Diamino-functional chalcones
  申请人：Nielsen Feldbaek Simon

  公开号：US20060235073A1

  公开（公告）日：2006-10-19

  The invention provides novel diamino-functionalised chalcone derivatives and analogues thereof. Use of the compounds, or compositions comprising them, as pharmaceutically active agents, in particular against bacterial and parasitic infections, is also disclosed. The invention further relates to a method for detecting inhibitory effects against e.g., bacteria, parasites, fungi, and helminths. The chalcones of the invention carry amino substituents and exhibit enhanced biological effects combined with improved metabolic and physicochemical properties, making the compounds useful as drug substances, in particular as antiparasitic and bacteriostatic agents.

  本发明提供了新型二氨基官能化查尔酮衍生物及其类似物。本发明还揭示了将这些化合物或包含它们的组合物用作药物活性剂，特别是用于对抗细菌和寄生虫感染。本发明还涉及一种检测抑制对细菌、寄生虫、真菌和蠕虫等的影响的方法。本发明的查尔酮具有氨基取代基，并表现出增强的生物效应和改善的代谢和物理化学性质，使这些化合物在药物物质中有用，特别是作为抗寄生虫和抗菌剂。
• CLASS OF HISTONE DEACETYLASE INHIBITORS
  申请人：Mai Antonello

  公开号：US20100113438A1

  公开（公告）日：2010-05-06

  New histone deacetylase inhibitors according to the general formula (I) wherein: Q is a bond, CH 2 , CH—NR 3 R 4 , NR 5 or oxygen, X is CH or nitrogen, Y is a bond, CH 2 , oxygen or NR 6 , Z is CH or nitrogen, R 1 , R 2 are, independently, hydrogen, halogen, C 1 -C 6 alkyl or C 1 -C 6 haloalkyl, R 11 , R 12 are, independently, hydrogen or C 1 -C 6 alkyl, and R 3 , R 4 , R 5 and R 6 are as further defined in the specification.

  新的组蛋白去乙酰化酶抑制剂具有以下通式（I）：其中：Q是键，CH2，CH—NR3R4，NR5或氧，X是CH或氮，Y是键，CH2，氧或NR6，Z是CH或氮，R1，R2分别是氢，卤素，C1-C6烷基或C1-C6卤代烷基，R11，R12分别是氢或C1-C6烷基，R3，R4，R5和R6如规范中所进一步定义。