2-(2-(2-(3-(E)-(1-(2-(2-(2-(2-(5-(4-(tert-butoxycarbonyl(methyl)amino)styryl)pyridin-2-yloxy)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy-2,2-bis((E)-(1-(2-(2-(2-(2-(5-(4-(tertbutoxycarbonyl(methyl)amino)styryl)pyridin-2-yloxy)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxymethyl)propoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate | 1346502-32-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-(2-(3-(E)-(1-(2-(2-(2-(2-(5-(4-(tert-butoxycarbonyl(methyl)amino)styryl)pyridin-2-yloxy)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy-2,2-bis((E)-(1-(2-(2-(2-(2-(5-(4-(tertbutoxycarbonyl(methyl)amino)styryl)pyridin-2-yloxy)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxymethyl)propoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
• CAS: 1346502-32-6
• 化学式: C₁₀₈H₁₄₇N₁₅O₂₇S
• 分子量: 2119.51
• InChiKey: ZTYVUDLHASNWSL-VNQRMFGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.36
• 重原子数：
  151.0
• 可旋转键数：
  73.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  428.93
• 氢给体数：
  0.0
• 氢受体数：
  39.0

反应信息

• 作为产物：
  描述：

  (E)-tert-butyl 4-(2-(6-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)pyridin-3-yl)vinyl)phenyl(methyl)carbamate 、 11,11-bis((prop-2-ynyloxy)methyl)-3,6,9,13-tetraoxahexadec-15-ynyl 4-methylbenzenesulfonate 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 4.0h， 以90%的产率得到2-(2-(2-(3-(E)-(1-(2-(2-(2-(2-(5-(4-(tert-butoxycarbonyl(methyl)amino)styryl)pyridin-2-yloxy)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy-2,2-bis((E)-(1-(2-(2-(2-(2-(5-(4-(tertbutoxycarbonyl(methyl)amino)styryl)pyridin-2-yloxy)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxymethyl)propoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Multidentate ¹⁸F-Polypegylated Styrylpyridines As Imaging Agents for Aβ Plaques in Cerebral Amyloid Angiopathy (CAA)

  摘要：

  beta-Amyloid plaques (A beta plaques) in the brain are associated with cerebral amyloid angiopathy (CAA). Imaging agents that could target the A beta plaques in the living human brain would be potentially valuable as biomarkers in patients with CAA. A new series of F-18 styrylpyridine derivatives with high molecular weights for selectively targeting A beta plaques in the blood vessels of the brain but excluded from the brain parenchyma is reported. The styrylpyridine derivatives, 8a-c, display high binding affinities and specificity to A beta plaques (K-i = 2.87, 3.24, and 7.71 nM, respectively). In vitro autoradiography of [F-18]8a shows labeling of beta-amyloid plaques associated with blood vessel walls in human brain sections of subjects with CAA and also in the tissue of AD brain sections. The results suggest that [F-18]8a may be a useful PET imaging agent for selectively detecting A beta plaques associated with cerebral vessels in the living human brain.

  DOI：

  10.1021/jm2009106