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3-(3-nitrophenyl)-5-(p-tolyl)-1,2,4-oxadiazole | 423730-82-9

中文名称
——
中文别名
——
英文名称
3-(3-nitrophenyl)-5-(p-tolyl)-1,2,4-oxadiazole
英文别名
3-(3-nitrophenyl)-5-p-tolyl-1,2,4-oxadiazole;5-(4-Methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
3-(3-nitrophenyl)-5-(p-tolyl)-1,2,4-oxadiazole化学式
CAS
423730-82-9
化学式
C15H11N3O3
mdl
——
分子量
281.271
InChiKey
OINNHOFNLOAZNH-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.7
  • 重原子数:
    21
  • 可旋转键数:
    2
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.07
  • 拓扑面积:
    84.7
  • 氢给体数:
    0
  • 氢受体数:
    5

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    Design, Synthesis and Biological Activity Evaluation of 2,5-Diphenyl-1,3,4-oxadiazole Derivatives as Novel Inhibitors of Fructose-1,6-bisphosphatase
    摘要:
    Fructose-1,6-bisphosphatase (FBPase), an important gluconeogenic enzyme, catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate. The effort to discover new FBPase inhibitors was carried out by high-throughput screening (HTS) of a library of 56,000 lead-like compounds, and a 2,5-diphenyl-1,3,4-oxadiazole (3a, IC50 = 15.45 mu M) which bearing no phosphate group was identified as a potential FBPase inhibitor for the first time. Structure-activity-relationship (SAR) research of a series of analogues obtained by modifying the substituent groups and replacing the 1,3,4-oxadiazole with several other heterocycles disclosed the key structure and substituent groups related to the binding with FBPase.
    DOI:
    10.3987/com-12-12565
  • 作为产物:
    描述:
    3-硝基苄胺肟碳酸甲丙酯 作用下, 以 甲苯 为溶剂, 反应 3.0h, 生成 3-(3-nitrophenyl)-5-(p-tolyl)-1,2,4-oxadiazole
    参考文献:
    名称:
    Design, Synthesis and Biological Activity Evaluation of 2,5-Diphenyl-1,3,4-oxadiazole Derivatives as Novel Inhibitors of Fructose-1,6-bisphosphatase
    摘要:
    Fructose-1,6-bisphosphatase (FBPase), an important gluconeogenic enzyme, catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate. The effort to discover new FBPase inhibitors was carried out by high-throughput screening (HTS) of a library of 56,000 lead-like compounds, and a 2,5-diphenyl-1,3,4-oxadiazole (3a, IC50 = 15.45 mu M) which bearing no phosphate group was identified as a potential FBPase inhibitor for the first time. Structure-activity-relationship (SAR) research of a series of analogues obtained by modifying the substituent groups and replacing the 1,3,4-oxadiazole with several other heterocycles disclosed the key structure and substituent groups related to the binding with FBPase.
    DOI:
    10.3987/com-12-12565
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文献信息

  • Microwave assisted synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from substituted amidoximes and benzoyl cyanides
    作者:Shivaji Kandre、Pundlik Rambhau Bhagat、Rajiv Sharma、Amol Gupte
    DOI:10.1016/j.tetlet.2013.04.101
    日期:2013.7
    We report herein the synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from amidoximes and substituted or unsubstituted benzoyl cyanides under microwave irradiation. Substituted or unsubstituted O-carboxyphenyl amidoxime is a key intermediate of this alternative method developed for the synthesis of these heterocycles. These reactions employ simple synthetic protocols devoid of lengthy purification procedures and proceed with good yield. (c) 2013 Elsevier Ltd. All rights reserved.
  • Design, Synthesis and Biological Activity Evaluation of 2,5-Diphenyl-1,3,4-oxadiazole Derivatives as Novel Inhibitors of Fructose-1,6-bisphosphatase
    作者:Fan Yang、Jia Li、Jing-Ya Li、Hai-Bing He、Yue-Yang Zhou、Ting Liu、Jie Tang、Xue-Ping Gong、Wen-Wei Qiu
    DOI:10.3987/com-12-12565
    日期:——
    Fructose-1,6-bisphosphatase (FBPase), an important gluconeogenic enzyme, catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate. The effort to discover new FBPase inhibitors was carried out by high-throughput screening (HTS) of a library of 56,000 lead-like compounds, and a 2,5-diphenyl-1,3,4-oxadiazole (3a, IC50 = 15.45 mu M) which bearing no phosphate group was identified as a potential FBPase inhibitor for the first time. Structure-activity-relationship (SAR) research of a series of analogues obtained by modifying the substituent groups and replacing the 1,3,4-oxadiazole with several other heterocycles disclosed the key structure and substituent groups related to the binding with FBPase.
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