acetic acid-[4-(3-nitro-phenoxy)-anilide] | 107920-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: acetic acid-[4-(3-nitro-phenoxy)-anilide]
• 英文别名: Essigsaeure-[4-(3-nitro-phenoxy)-anilid]；N-[4-(3-nitrophenoxy)phenyl]acetamide
• CAS: 107920-34-3
• 化学式: C₁₄H₁₂N₂O₄
• 分子量: 272.26
• InChiKey: AVFJGNFPDSXOSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  acetic acid-[4-(3-nitro-phenoxy)-anilide] 在 盐酸 作用下， 反应 16.0h， 生成 4-(3-nitrophenoxy)phenylamine hydrochloride
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Trisubstituted Phenyl Urea Derivatives as Neuropeptide Y5 Receptor Antagonists

  摘要：

  1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC(50)s less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in acellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).

  DOI：

  10.1021/jm0004547
• 作为产物：
  描述：

  间氟硝基苯 、 对乙酰氨基酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以82%的产率得到acetic acid-[4-(3-nitro-phenoxy)-anilide]
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Trisubstituted Phenyl Urea Derivatives as Neuropeptide Y5 Receptor Antagonists

  摘要：

  1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC(50)s less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in acellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).

  DOI：

  10.1021/jm0004547

文献信息

• Expression of human hepatitis C virus core antigen in tobacco plants by tobacco mosaic virus-based vector system
  作者：Aidong Han、Yule Liu、Li Xiao、Liangyi Kang、Yuman Zhang、Dongtian Li、Bo Tian

  DOI：10.1007/bf02884901

  日期：2000.3

  Tobacco mosaic virus (TMV) has the potential to highly express foreign gene. A novel TMV-based in trans expression system was constructed. A TMV mutant TSHc had its coat protein replaced with hepatitis C virus (HCV) core antigen gene. Another TMV mutant TSBD was replicase-detective. Coinfection of the two mutants could cause systemic infection in tobacco plants by in trans complementation of their functions. TSHc could effectively replicate and assemble to viral particles, which were a little longer than that of wild-type TMV. HCV core antigen was expressed in whole tobacco plants. A similar expression lever of HCV core antigen was detected on serial passages, which suggested that this viral expression system be stable.
• TODA, MIPORU;TAO, KATSUTOSI;FUDZIKI, KEHNDZIRO;TSUDZI, ITINIDZO
  作者：TODA, MIPORU、TAO, KATSUTOSI、FUDZIKI, KEHNDZIRO、TSUDZI, ITINIDZO

  DOI：——

  日期：——
• Protein Kinase Inhibitors
  申请人：Laurent Alain

  公开号：US20140045833A1

  公开（公告）日：2014-02-13

  The present invention relates to a novel family of inhibitors of protein kinases of Formula (1) wherein X is selected from CH2, O, S(0)n, or NR6; and process for their production and pharmaceutical compositions thereof. In particular, the present invention relates to inhibitors of the members of the Tec, Src, Btk and Lck protein kinase families.
• US9624239B2
  申请人：——

  公开号：US9624239B2

  公开（公告）日：2017-04-18
• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE KINASE
  申请人：PHARMASCIENCE INC

  公开号：WO2012135944A9

  公开（公告）日：2014-01-09

  [EN] The present invention relates to a novel family of inhibitors of protein kinases of Formula (1) wherein X is selected from CH2, O, S(0)n, or NR6; and process for their production and pharmaceutical compositions thereof. In particular, the present invention relates to inhibitors of the members of the Tec, Src, Btk and Lck protein kinase families.
  [FR] La présente invention concerne une nouvelle famille d'inhibiteurs de protéines kinases de formule (1), dans laquelle X est choisi parmi CH2, O, S(O)n ou NR6; et leur procédé de fabrication et leurs compositions pharmaceutiques. La présente invention concerne notamment des inhibiteurs des membres des familles de protéines kinases Tec, Src, Btk et Lck.