1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone | 56915-77-6

• 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-yl)phenyl]ethanone
• 英文别名: 1-[2-(4-methyl-piperazin-1-yl)-phenyl]-ethanone；o-(4-methyl-1-piperazinyl)acetophenone
• CAS: 56915-77-6
• 化学式: C₁₃H₁₈N₂O
• mdl: MFCD11136768
• 分子量: 218.299
• InChiKey: CQBURUJINHGLAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 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-yl)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， 反应 24.0h， 以90%的产率得到(E)-3-(4-{(E)-3-[2-(4-methyl-piperazin-1-yl)-phenyl]-3-oxo-propenyl}-phenyl)-acrylic acid hydrochloride
  参考文献：
  名称：

  WO2007/113249

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氟苯腈 在 氨 、 potassium carbonate 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 28.0h， 生成 1-[2-(4-methylpiperazin-1-yl)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

• Novel antibacterial amide compounds and process means for producing the
  申请人：Parke, Davis & Company

  公开号：US03954734A1

  公开（公告）日：1976-05-04

  Novel organic amide compounds which are N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]penicillin and cephalosporin type compounds having broad spectrum antibacterial utility are provided by (a) reacting the free amino acid of the appropriate penicillin or cephalosporin or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding N-6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinic acid or (b) reacting the free amino acid 6-amino-penicillanic acid, 7-aminocephalosporanic acid, 7-amino-3-methylceph-3-em-4-carboxylic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing said compounds and methods for treating infections using said compositions are also disclosed.

  提供了一种新型的有机酰胺化合物，即N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]青霉素和头孢菌素类化合物，具有广谱抗菌作用，方法包括(a)将适当青霉素或头孢菌素的游离氨基酸或其酸盐或硅烷衍生物与相应的N-6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酸的反应衍生物反应，或(b)将游离氨基酸6-氨基青霉素酸、7-氨基头孢菌素酸、7-氨基-3-甲基头孢-3-酮-4-羧酸或相关化合物或其酸盐或硅烷衍生物与相应的D-N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]-2-取代甘氨酸的反应衍生物反应。还公开了含有上述化合物的药物组合物以及使用这些组合物治疗感染的方法。
• Trialkylsilyl esters of 6(substituted
  申请人：Parke, Davis & Company

  公开号：US03951982A1

  公开（公告）日：1976-04-20

  Trialkylsilyl esters of 6-(substituted amino)phenyl-1,2-dihydro-2-oxonicotinic acid and acid addition salts thereof are disclosed. The compounds are useful intermediates in the preparation of pharmacological agents, especially antimicrobials of the penicillin or cephalosporin type. The compounds can be produced by reacting a 6-(substituted amino)phenyl-1,2-dihydro-2-oxonicotinic acid with a silylating agent and are converted to the useful corresponding acid chloride by reaction with thionyl chloride.

  披露了6-(取代氨基)苯基-1,2-二氢-2-氧基烟酸的三烷基硅酯及其酸盐。这些化合物是制备药理学药剂，特别是青霉素或头孢菌素类抗菌剂的有用中间体。这些化合物可以通过将6-(取代氨基)苯基-1,2-二氢-2-氧基烟酸与硅化剂反应而制得，并通过与亚砜氯反应转化为有用的相应酸氯化物。
• Substituted-1,2-dihydro-2-oxonicotinyl-cephalosporins
  申请人：Parke, Davis & Company

  公开号：US04053470A1

  公开（公告）日：1977-10-11

  Novel organic amide compounds which are N-[6-[(substituted amino)phenyl] 1,2-dihydro-2-oxonicotinyl]penicillin and cephalosporin type compounds having broad spectrum antibacterial utility are provided by (a) reacting the free amino acid of the appropriate penicillin or cephalosporin or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding N-6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinic acid or (b) reacting the free amino acid 6-amino-penicillanic acid, 7-aminocephalosporanic acid, 7-amino-3-methylceph-3-em-4-carboxylic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing said compounds and methods for treating infections using said compositions are also disclosed.

  本发明提供了新型有机酰胺化合物，其为N-[6-[(取代氨基)苯基]1,2-二氢-2-氧基烟酰基]青霉素和头孢菌素类型化合物，具有广谱抗菌作用，其方法为(a)将适当的青霉素或头孢菌素的游离氨基酸或其酸盐或硅烷衍生物与相应的N-6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酸的反应性衍生物反应，或者(b)将游离氨基酸6-氨基青霉烷酸、7-氨基头孢烷酸、7-氨基-3-甲基头孢-3-乙烯-4-羧酸或相关化合物或其酸盐或硅烷衍生物与相应的D-N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]-2-取代甘氨酸的反应性衍生物反应。本发明还公开了含有所述化合物的制药组合物以及使用所述组合物治疗感染的方法。
• 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。