| 1292280-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1292280-14-8
• 化学式: C₂₅H₂₀N₄O
• 分子量: 391.449
• InChiKey: PRWFSBVVFNTTJQ-BJUDXGSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  52.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-{4-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxymethyl}quinoline 、 [11C]methyl iodide 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 生成 、 2-((4-(1-[11C]methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
  参考文献：
  名称：

  Radiosynthesis and in vivo evaluation of [11C]MP-10 as a PET probe for imaging PDE10A in rodent and non-human primate brain

  摘要：

  2-((4-(1-[C-11]Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)-quinoline (MP-10), a specific PDE10A inhibitor (IC50 = 0.18 nM with 100-fold selectivity over other PDEs), was radiosynthesized by alkylation of the desmethyl precursor with [C-11]CH3I, similar to 45% yield, > 92% radiochemical purity, > 370 GBq/mu mol specific activity at end of bombardment (EOB). Evaluation in Sprague-Dawley rats revealed that [C-11]MP-10 had highest brain accumulation in the PDE10A enriched-striatum, the 30 min striatum: cerebellum ratio reached 6.55. MicroPET studies of [C-11]MP-10 in monkeys displayed selective uptake in striatum. However, a radiolabeled metabolite capable of penetrating the blood-brain-barrier may limit the clinical utility of [C-11] MP-10 as a PDE10A PET tracer. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.032