MMV688350

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: MMV688350
• 英文别名: Methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]-4-fluorobenzoate；methyl 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]-4-fluorobenzoate
• 化学式: C₂₄H₂₀FN₃O₄S
• 分子量: 465.505
• InChiKey: BKVNVQAJGRLKBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  98.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  MMV688350 在 水 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-[3-(1-benzyl-1H-pyrazol-4-yl)benzenesulfonylamino]-4-fluorobenzoic acid
  参考文献：
  名称：

  N-Sulfonylanthranilic Acid Derivatives as Allosteric Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase

  摘要：

  A novel class of compounds containing N-sulfonylanthranilic acid was found to specifically inhibit dengue viral polymerase. The structural requirements for inhibition and it preliminary structure-activity relationship are described. A UV cross-linking experiment was used to map the allosteric binding site of the compound on the viral polymerase.

  DOI：

  10.1021/jm901044z
• 作为产物：
  描述：

  1-苄基-1H-吡唑-4-硼酸频哪醇酯 、 Methyl 2-[(3-bromophenyl)sulfonylamino]-4-fluorobenzoate 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 MMV688350
  参考文献：
  名称：

  N-Sulfonylanthranilic Acid Derivatives as Allosteric Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase

  摘要：

  A novel class of compounds containing N-sulfonylanthranilic acid was found to specifically inhibit dengue viral polymerase. The structural requirements for inhibition and it preliminary structure-activity relationship are described. A UV cross-linking experiment was used to map the allosteric binding site of the compound on the viral polymerase.

  DOI：

  10.1021/jm901044z

文献信息

• <i>N</i>-Sulfonylanthranilic Acid Derivatives as Allosteric Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase
  作者：Zheng Yin、Yen-Liang Chen、Ravinder Reddy Kondreddi、Wai Ling Chan、Gang Wang、Ru Hui Ng、Joanne Y. H. Lim、Wan Yen Lee、Duraiswamy A. Jeyaraj、Pornwaratt Niyomrattanakit、Daying Wen、Alex Chao、J. Fraser Glickman、Hans Voshol、Dieter Mueller、Carsten Spanka、Sigmar Dressler、Shahul Nilar、Subhash G. Vasudevan、Pei-Yong Shi、Thomas H. Keller

  DOI：10.1021/jm901044z

  日期：2009.12.24

  A novel class of compounds containing N-sulfonylanthranilic acid was found to specifically inhibit dengue viral polymerase. The structural requirements for inhibition and it preliminary structure-activity relationship are described. A UV cross-linking experiment was used to map the allosteric binding site of the compound on the viral polymerase.