4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methyl-N-(tritritiomethyl)aniline | 1294501-78-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methyl-N-(tritritiomethyl)aniline
• CAS: 1294501-78-2
• 化学式: C₁₄H₁₂FN₃O
• 分子量: 263.243
• InChiKey: WBXZKBMJOVTHPJ-RLXJOQACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(N-BOC-甲基氨)苯甲酸 在 sodium hydride 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methyl-N-(tritritiomethyl)aniline
  参考文献：
  名称：

  Synthesis and Evaluation of 5-Fluoro-2-aryloxazolo[5,4-b]pyridines as β-Amyloid PET Ligands and Identification of MK-3328

  摘要：

  5-Fluoro-2-aryloxazolo[5,4-b]pyridines were synthesized and investigated as potential F-18 containing beta-amyloid PET ligands. In competition binding assays using human AD brain homogenates, compounds 14b, 16b, and 17b were identified as having favorable potency versus human beta-amyloid plaque and were radiolabeled for further evaluation in in vitro binding and in vivo PET imaging experiments. These studies led to the identification of 17b (MK-3328) as a candidate PET ligand for the clinical assessment of beta-amyloid plaque load.

  DOI：

  10.1021/ml200018n