N-(1,3-Dioxobutyl)-N-phenylglycine ethyl ester | 872305-27-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(1,3-Dioxobutyl)-N-phenylglycine ethyl ester
• 英文别名: ethyl 2-[N-(3-oxobutanoyl)anilino]acetate
• CAS: 872305-27-6
• 化学式: C₁₄H₁₇NO₄
• 分子量: 263.293
• InChiKey: QUTUMYIJJABXKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(1,3-Dioxobutyl)-N-phenylglycine ethyl ester 在 sodium methylate 作用下， 以 甲苯 为溶剂， 生成 (3Z)-3-(1-羟基乙亚基)-1-苯基-2,4-吡咯烷二酮
  参考文献：
  名称：

  Novel pyrazole fused heterocyclic ligands: Synthesis, characterization, DNA binding/cleavage activity and anti-BVDV activity

  摘要：

  A series of novel pyrazole fused heterocyclic derivatives were synthesized via a two-step procedure or a one-pot two step method, and their catalytic DNA cleavage abilities and anti-BVDV activities were also evaluated. The results obtained indicated that compounds 3b-3c could catalyze the cleavage of supercoiled DNA (pUC 19 plasmid DNA) to nicked DNA under physiological conditions with high yields via a hydrolytic mechanism. The studies on anti-viral activities against bovine viral diarrhea virus (BVDV) demonstrated that some of the pyrazole derivatives showed pronounced anti-BVDV activity with interesting EC50 values and no significant cytotoxicity. Among them, compound 31 showed the highest antiviral activity (EC50 = 0.12 mu mol/L) and was 10 fold more than that of the positive control ribavirin (EC50 = 1.3 mu mol/L), which provided a potential candidate for the development of anti-BVDV agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.01.006

文献信息

• STABILISED VINYL CHLORIDE POLYMER COMPOSITIONS
  申请人：Akcros Chemicals

  公开号：EP0826016A1

  公开（公告）日：1998-03-04
• US5985959A
  申请人：——

  公开号：US5985959A

  公开（公告）日：1999-11-16
• [EN] STABILISED VINYL CHLORIDE POLYMER COMPOSITIONS<br/>[FR] COMPOSITIONS STABILISEES DE POLYMERES DE CHLORURE DE VINYLE
  申请人：AKCROS CHEMICALS

  公开号：WO1996036663A1

  公开（公告）日：1996-11-21

  (EN) A composition based on polymer and/or co-polymers of vinyl chloride comprises the following compounds expressed by weight percent relative to the weight of the polymer/co-polymer used: (a) from 0.1 %-5 % of one or more organotin salts and/or one or more divalent metal salts of a carboxylic acid or phenol; and (b) from 0.001 %-5 % of one or more metal salts of the organic compounds of general formula (A) in which R1 represents a linear or branched alkylene or alkenylene radical having up to 20 carbon atoms, an aralkylene radical having from 7 to 20 carbon atoms or an arylene or cycloalkylene radical having from 6 to 20 carbon atoms, the cycloalkylene radicals optionally containing carbon-carbon double bonds. These radicals are optionally unsubstituted or substituted, by one or more halogen atoms or hydroxyl groups, aryl or cycloalkylene radicals, one or more alkyl and/or alkoxy radicals, the above mentioned radicals optionally also being modified by the presence in an aliphatic chain of one or more -O-, -CO- or -CO2- chain members or N; R2 represents O, S NR5 or NNHR5 wherein R5 is defined as R1, H or C(S)NHR6 wherein R6 is defined as R1 or H; R3 and R4 are defined as R1 or H and can be the same or different. A is either O, S or NR7, with R7 defined as R1 and H, with the exception that when A = O, R2 = O.(FR) L'invention porte sur une composition à base de polymères et/ou copolymères de chlorure de vinyle comprenant les composés suivants exprimés en pourcentage pondéral par rapport au poids du polymère/copolymère utilisé: (a) entre 0,1 % et 5 % d'un ou plusieurs sels organostanniques et/ou d'un ou plusieurs sels de métaux divalents d'un acide ou phénol carboxylique; et (b) entre 0,001 % et 5 % d'un ou plusieurs sels métalliques de composés organiques de la formule générale (A), dans laquelle R1 représente un radical alkylène ou alcénylène linéaire ou ramifié possédant jusqu'à 20 atomes de carbone, un radical aralkylène possédant de 7 à 20 atomes de carbone ou un radical arylène ou cycloalkylène possédant de 6 à 20 atomes de carbone, les radicaux cycloalkylène contenant éventuellement des doubles liaisons carbone-carbone. Ces radicaux sont éventuellement non substitués ou substitués par un ou plusieurs atomes d'halogène ou des groupes hydroxyle, des radicaux aryle ou cycloalkylène, un ou plusieurs radicaux alykle et/ou alcoxy, les radicaux sus-mentionnés étant éventuellement aussi modifiés par la présence d'une chaîne aliphatique constituée d'un ou plusieurs éléments de chaîne -O-, -CO- ou -CO2- ou N; R2 représente O, S NR5 ou NNHR5, où R5 est défini de la même manière que R1, H ou C(S)NHR6, où R6 est défini de la même manière que R1 ou H; R3 et R4 sont définis de la même manière que R1 ou H et peuvent être identiques ou différents. A représente l'un ou l'autre des éléments S, O ou NR7, R7 étant défini de la même manière que R1 et H, excepté que, lorsque A = O, R2 = O.
• Novel pyrazole fused heterocyclic ligands: Synthesis, characterization, DNA binding/cleavage activity and anti-BVDV activity
  作者：Chao Han、Yan-Chun Guo、Dan-Dan Wang、Xing-Jie Dai、Feng-Juan Wu、Huan-Fei Liu、Gui-Fu Dai、Jing-Chao Tao

  DOI：10.1016/j.cclet.2015.01.006

  日期：2015.5

  A series of novel pyrazole fused heterocyclic derivatives were synthesized via a two-step procedure or a one-pot two step method, and their catalytic DNA cleavage abilities and anti-BVDV activities were also evaluated. The results obtained indicated that compounds 3b-3c could catalyze the cleavage of supercoiled DNA (pUC 19 plasmid DNA) to nicked DNA under physiological conditions with high yields via a hydrolytic mechanism. The studies on anti-viral activities against bovine viral diarrhea virus (BVDV) demonstrated that some of the pyrazole derivatives showed pronounced anti-BVDV activity with interesting EC50 values and no significant cytotoxicity. Among them, compound 31 showed the highest antiviral activity (EC50 = 0.12 mu mol/L) and was 10 fold more than that of the positive control ribavirin (EC50 = 1.3 mu mol/L), which provided a potential candidate for the development of anti-BVDV agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.