1-ethyl-3-(5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)urea mesylate | 1241752-20-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-ethyl-3-(5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)urea mesylate
• 英文别名: 1-ethyl-3-(5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)urea mono-mesylate
• CAS: 1241752-20-4
• 化学式: CH₄O₃S*C₁₅H₁₉N₅O₂S
• 分子量: 429.521
• InChiKey: QANJQYHYZBYGSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  133.75
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1-(5-methoxy-3-pyridyl)piperidin-4-one 在 吡啶 、 sulfur 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.08h， 生成 1-ethyl-3-(5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)urea mesylate
  参考文献：
  名称：

  Discovery of Highly Isoform Selective Thiazolopiperidine Inhibitors of Phosphoinositide 3-Kinase γ

  摘要：

  A series of high,affinity second-generation thiazolopiperidine inhibitors of PI3K gamma were designed based on some general observations around lipid kinase structure. Optimization of the alkylimidazole group led to inhibitors with higher level of PI3K gamma selectivity. Additional insights into PI3K isoform selectivity related to sequence differences in a known distal hydrophobic pocket are also described.

  DOI：

  10.1021/acs.jmedchem.5b00498