N-benzyl-7-(4-methoxybenzylthio)benzo[c][1,2,5]oxa-diazol-4-amine | 1458652-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 英文名称: N-benzyl-7-(4-methoxybenzylthio)benzo[c][1,2,5]oxa-diazol-4-amine
• 英文别名: N-benzyl-4-[(4-methoxyphenyl)methylsulfanyl]-2,1,3-benzoxadiazol-7-amine
• CAS: 1458652-52-2
• 化学式: C₂₁H₁₉N₃O₂S
• 分子量: 377.467
• InChiKey: ILWHGJUODYYYQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  85.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氯-7-硝基苯并-2-氧杂-1,3-二唑 在 盐酸 、 铁粉 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 1.01h， 生成 N-benzyl-7-(4-methoxybenzylthio)benzo[c][1,2,5]oxa-diazol-4-amine
  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.