2-[[5-cyano-4-(2-furyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)acetamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[[5-cyano-4-(2-furyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)acetamide
• 英文别名: 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• 化学式: C₂₀H₁₃N₅O₃S₂
• 分子量: 435.5
• InChiKey: KILQMJQXVPBHHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  174
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• SMALL MOLECULES TARGETING HIV-1 NEF
  申请人：University of Pittsburgh - of the Commonwealth System of Higher Education

  公开号：US20160235750A1

  公开（公告）日：2016-08-18

  A method of treating HIV in a subject, comprising administering to a subject in need thereof a therapeutically effective amount of a compound having a general Formula 1, or a pharmaceutically acceptable salt or ester thereof: wherein R 1 is selected from H, optionally-substituted aryl, optionally-substituted heteroaryl, or optionally-substituted aliphatic; each R 2 is independently selected from H, halogen, cyano, thioether, oxo, optionally-substituted amino, optionally-substituted heteroaryl, optionally-substituted aryl, or optionally-substituted aliphatic; a is 3 to 7; and the ring designates a heterocyclic or heteroaryl structure.