1-Ethyl-6-fluoro-7-(4-{[(2-furylcarbonyl)amino]carbothioyl}piperazino)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-Ethyl-6-fluoro-7-(4-{[(2-furylcarbonyl)amino]carbothioyl}piperazino)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
• 英文别名: 1-ethyl-6-fluoro-7-[4-(furan-2-carbonylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
• 化学式: C₂₂H₂₁FN₄O₅S
• 分子量: 472.5
• InChiKey: BRKOJIPIZGWEPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• METHODS AND COMPOSITIONS FOR MODULATING REGULATORY T CELL FUNCTION
  申请人：WANG Rongfu

  公开号：US20160030443A1

  公开（公告）日：2016-02-04

  Pharmaceutical compositions comprising a compound selected from the group consisting of Compound Nos. 1, 2, 3, 4, 5, 6, 7, 13, 22, 23, 24 and 25, as described in Table 1, and a pharmaceutically acceptable excipient. The pharmaceutical composition of the invention may further comprise an antigen, and/or an adjuvant. Also provided are methods of inhibiting a regulatory T (Treg) cell-mediated immune suppression, or more generally a method for enhancing immune response using a pharmaceutical composition comprising a ligand for human Toll-like receptor (TLR) 8 which activates the MyD88-IRAK4 signalling pathway. The present invention further provides a method of screening for an inhibitor of Treg cells' suppressive activity of host immune response using CD4 + Treg cells which express CD25, GITR and FoxP3; secrete IL-10, and are able to suppress the activation of CD4 + T cells.