7-(1,3,4,4a,5,6,7,8-octahydropyrrolo[1,2-c]pyrimidin-8-ium-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate

• 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: 7-(1,3,4,4a,5,6,7,8-octahydropyrrolo[1,2-c]pyrimidin-8-ium-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
• 化学式: C19H22FN3O3
• 分子量: 359.4
• InChiKey: VVTRSWANRODQKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  7

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.