6,7-bis(4-fluorophenyl)-N,N-dimethyl-pteridin-4-amine

• 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)-N,N-dimethyl-pteridin-4-amine
• 英文别名: 6,7-bis(4-fluorophenyl)-N,N-dimethylpteridin-4-amine
• 化学式: C₂₀H₁₅F₂N₅
• 分子量: 363.369
• InChiKey: PKVAPOUQMPZTAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4,4'-二氟苯偶酰 在 sodium acetate 、 溶剂黄146 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 6,7-bis(4-fluorophenyl)-N,N-dimethyl-pteridin-4-amine
  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

文献信息

• Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase
  作者：Yili Ding、Jean-Luc Girardet、Kenneth L. Smith、Gary Larson、Brett Prigaro、Vicky C.H. Lai、Weidong Zhong、Jim Z. Wu

  DOI：10.1016/j.bmcl.2004.11.028

  日期：2005.2

  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.