2-nitro-N-(2-(trifluoromethoxy)phenyl)benzamide | 939920-68-0

• 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: 2-nitro-N-(2-(trifluoromethoxy)phenyl)benzamide
• 英文别名: 2-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
• CAS: 939920-68-0
• 化学式: C₁₄H₉F₃N₂O₄
• 分子量: 326.232
• InChiKey: YHGVLHLFVIMFMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 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：
  7

反应信息

• 作为反应物：
  描述：

  2-nitro-N-(2-(trifluoromethoxy)phenyl)benzamide 在 tin(II) chloride dihdyrate 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 2-(4-nitrophenylsulfonamido)-N-(2-(trifluoromethoxy)phenyl)benzamide
  参考文献：
  名称：

  SAR and Lead Optimization of an HIV-1 Vif-APOBEC3G Axis Inhibitor

  摘要：

  We describe structure activity relationship and optimization studies of RN-18, an HIV-1 Vif-APOBEC3G axis inhibitor. Targeted modifications of RN-18 ring C, ring B, ring A, bridge A B, and bridge B C were performed to identify the crucial structural features, which generated new inhibitors with similar (4g and 4i) and improved (5, 8b, and 11) activities. Two potent water-soluble RN-18 analogues, 17 and 19, are also disclosed, and we describe the results of pharmacological studies with compound 19. The findings described here will be useful in the development of more potent Vif inhibitors and in the design of probes to identify the target protein of RN-18 and its analogues.

  DOI：

  10.1021/ml300037k
• 作为产物：
  描述：

  邻硝基苯甲酸 、 邻氨基三氟甲氧基苯 在 氯化亚砜 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 苯 、 二氯甲烷 为溶剂， 以88%的产率得到2-nitro-N-(2-(trifluoromethoxy)phenyl)benzamide
  参考文献：
  名称：

  SAR and Lead Optimization of an HIV-1 Vif-APOBEC3G Axis Inhibitor

  摘要：

  We describe structure activity relationship and optimization studies of RN-18, an HIV-1 Vif-APOBEC3G axis inhibitor. Targeted modifications of RN-18 ring C, ring B, ring A, bridge A B, and bridge B C were performed to identify the crucial structural features, which generated new inhibitors with similar (4g and 4i) and improved (5, 8b, and 11) activities. Two potent water-soluble RN-18 analogues, 17 and 19, are also disclosed, and we describe the results of pharmacological studies with compound 19. The findings described here will be useful in the development of more potent Vif inhibitors and in the design of probes to identify the target protein of RN-18 and its analogues.

  DOI：

  10.1021/ml300037k