6,7-Bis(4-fluorophenyl)pteridin-4-ol | 450356-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 6,7-Bis(4-fluorophenyl)pteridin-4-ol
• 英文别名: 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one
• CAS: 450356-77-1
• 化学式: C₁₈H₁₀F₂N₄O
• 分子量: 336.3
• InChiKey: ANUYUHYVAXDKID-UHFFFAOYSA-N

物化性质

• 沸点：
  477.8±55.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6,7-Bis(4-fluorophenyl)pteridin-4-ol 在 三氯氧磷 作用下， 反应 1.0h， 生成 4-Chloro-6,7-bis-(4-fluoro-phenyl)-pteridine
  参考文献：
  名称：

  Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase

  摘要：

  From compound library screening using an HCV NS5B RNA-dependent RNA polymerase enzymatic assay, we identified a pteridine hit compound with an IC50 of 15 muM. Our SAR studies were focused on the different groups at the 6- and 7-positions. substitutions at the 4-position, and replacement of N-1 or N-3 with carbon in the pteridine ring. We found that NH or OH at 4-position is critical for the inhibitory activity. Furthermore, a hydrophobic substituent at the 4-position may help compounds permeate through the cell membrane. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.028
• 作为产物：
  描述：

  4,4'-二氟苯偶酰 、 4,5-二氨基-6-羟基嘧啶 在 sodium acetate 、 溶剂黄146 作用下， 反应 2.0h， 生成 6,7-Bis(4-fluorophenyl)pteridin-4-ol
  参考文献：
  名称：

  Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase

  摘要：

  From compound library screening using an HCV NS5B RNA-dependent RNA polymerase enzymatic assay, we identified a pteridine hit compound with an IC50 of 15 muM. Our SAR studies were focused on the different groups at the 6- and 7-positions. substitutions at the 4-position, and replacement of N-1 or N-3 with carbon in the pteridine ring. We found that NH or OH at 4-position is critical for the inhibitory activity. Furthermore, a hydrophobic substituent at the 4-position may help compounds permeate through the cell membrane. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.028