6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]pyrido[2,3-d]pyrimidin-7-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]pyrido[2,3-d]pyrimidin-7-one
• 化学式: C₃₇H₅₂N₃O₇Pol
• 分子量: 575.4
• InChiKey: APPAUNZXIPSWAS-XCXOWRKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  158
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]pyrido[2,3-d]pyrimidin-7-one 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Multivalent binding oligomers inhibit HIV Tat–TAR interaction critical for viral replication

  摘要：

  We describe the development of a new type of scaffold to target RNA structures. Multivalent binding oligomers (MBOs) are molecules in which multiple sidechains extend from a polyamine backbone such that favorable RNA binding occurs. We have used this strategy to develop MBO-based inhibitors to prevent the association of a protein-RNA complex, Tat-TAR, that is essential for HIV replication. In vitro binding assays combined with model cell-based assays demonstrate that the optimal MBOs inhibit Tat-TAR binding at low micromolar concentrations. Antiviral studies are also consistent with the in vitro and cell-based assays. MBOs provide a framework for the development of future RNA-targeting molecules. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.10.078
• 作为产物：
  描述：

  在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]pyrido[2,3-d]pyrimidin-7-one
  参考文献：
  名称：

  Multivalent binding oligomers inhibit HIV Tat–TAR interaction critical for viral replication

  摘要：

  We describe the development of a new type of scaffold to target RNA structures. Multivalent binding oligomers (MBOs) are molecules in which multiple sidechains extend from a polyamine backbone such that favorable RNA binding occurs. We have used this strategy to develop MBO-based inhibitors to prevent the association of a protein-RNA complex, Tat-TAR, that is essential for HIV replication. In vitro binding assays combined with model cell-based assays demonstrate that the optimal MBOs inhibit Tat-TAR binding at low micromolar concentrations. Antiviral studies are also consistent with the in vitro and cell-based assays. MBOs provide a framework for the development of future RNA-targeting molecules. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.10.078