4-(5-fluorobenzofuran-2-yl)-N-methylaniline | 1238315-05-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 4-(5-fluorobenzofuran-2-yl)-N-methylaniline
• CAS: 1238315-05-3
• 化学式: C₁₅H₁₂FNO
• 分子量: 241.265
• InChiKey: BMQNPXMWMBFQIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  25.17
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 4-(5-Fluoro-1-benzofuran-2-yl)aniline 在 sodium tetrahydroborate 、 sodium methylate 作用下， 以 甲醇 为溶剂， 以30%的产率得到4-(5-fluorobenzofuran-2-yl)-N-methylaniline
  参考文献：
  名称：

  Fluorinated Benzofuran Derivatives for PET Imaging of β-Amyloid Plaques in Alzheimer's Disease Brains

  摘要：

  A series of fluorinated benzofuran derivatives as potential tracers for positron emission tomography (PET) targeting beta-amyloid plaques in the brains of patients with Alzheimer's disease (AD) were synthesized and evaluated. The derivatives were produced using an intramolecular Wittig reaction. In experiments in vitro, all displayed high affinity for A beta(1-42) aggregates with K-i values in the nanomolar range. Radiofluorinated 17,[F-18]17, in particular labeled beta-amyloid plaques in sections of Tg2576 mouse brain and displayed high uptake (5.66% ID/g) at 10 min postinjection, sufficient for PET imaging. In addition, in vivo beta-amyloid plaque labeling can be clearly demonstrated with [F-18]17 in Tg2576 mice. In conclusion, [F-18]17 may be useful for detecting beta-amyloid plaques in patients with AD.

  DOI：

  10.1021/ml100082x