2-Chloro-N-(2-hydroxy-5-nitro-phenyl)-5-nitro-nicotinamide | 288148-77-6

• 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-Chloro-N-(2-hydroxy-5-nitro-phenyl)-5-nitro-nicotinamide
• CAS: 288148-77-6
• 化学式: C₁₂H₇ClN₄O₆
• 分子量: 338.664
• InChiKey: ZWZCLDXAWRUYBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  148.5
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-Chloro-N-(2-hydroxy-5-nitro-phenyl)-5-nitro-nicotinamide 在 吡啶 作用下， 以79%的产率得到2,8-Dinitro-10H-5-oxa-4,10-diaza-dibenzo[a,d]cyclohepten-11-one
  参考文献：
  名称：

  Hepatitis C viral IRES inhibition by phenazine and phenazine-like molecules

  摘要：

  An in vitro assay based on the expression of Fluci reporter gene under the translational control of HCV IRES was used to evaluate and screen compound libraries. A structure-activity relationship study on a phenazine kit was conducted. Our data suggest that an intact phenazine or phenazine-like core with two distal polar substitutions is crucial for potency. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00217-1
• 作为产物：
  描述：

  5-硝基-2-羟基吡啶-3-羧酸 在 氯化亚砜 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 2-Chloro-N-(2-hydroxy-5-nitro-phenyl)-5-nitro-nicotinamide
  参考文献：
  名称：

  Hepatitis C viral IRES inhibition by phenazine and phenazine-like molecules

  摘要：

  An in vitro assay based on the expression of Fluci reporter gene under the translational control of HCV IRES was used to evaluate and screen compound libraries. A structure-activity relationship study on a phenazine kit was conducted. Our data suggest that an intact phenazine or phenazine-like core with two distal polar substitutions is crucial for potency. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00217-1