4-(3-methoxyphenoxy)-7-nitrobenzo[c][1,2,5]oxadiazole | 1458652-49-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(3-methoxyphenoxy)-7-nitrobenzo[c][1,2,5]oxadiazole
• 英文别名: 4-(3-Methoxyphenoxy)-7-nitro-2,1,3-benzoxadiazole；4-(3-methoxyphenoxy)-7-nitro-2,1,3-benzoxadiazole
• CAS: 1458652-49-7
• 化学式: C₁₃H₉N₃O₅
• 分子量: 287.232
• InChiKey: BASAPASNCVEBSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-甲氧基苯酚 、 4-氯-7-硝基苯并-2-氧杂-1,3-二唑 以 乙醇 为溶剂， 反应 0.42h， 以82%的产率得到4-(3-methoxyphenoxy)-7-nitrobenzo[c][1,2,5]oxadiazole
  参考文献：
  名称：

  Discovery and synthesis of novel benzofurazan derivatives as inhibitors of influenza A virus

  摘要：

  The identification of a novel hit compound inhibitor of the protein-protein interaction between the influenza RNA-polymerase PA and PB1 subunits has been accomplished by means of high-throughput screening. A small family of structurally related molecules has been synthesized and biologically evaluated with most of the compounds showing micromolar potency of inhibition against viral replication. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.048

文献信息

• Discovery and synthesis of novel benzofurazan derivatives as inhibitors of influenza A virus
  作者：Ulrich Kessler、Daniele Castagnolo、Mafalda Pagano、Davide Deodato、Martina Bernardini、Beatrice Pilger、Charlene Ranadheera、Maurizio Botta

  DOI：10.1016/j.bmcl.2013.08.048

  日期：2013.10

  The identification of a novel hit compound inhibitor of the protein-protein interaction between the influenza RNA-polymerase PA and PB1 subunits has been accomplished by means of high-throughput screening. A small family of structurally related molecules has been synthesized and biologically evaluated with most of the compounds showing micromolar potency of inhibition against viral replication. (C) 2013 Elsevier Ltd. All rights reserved.