N-(11)C-mesioindigotin | 1356447-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(11)C-mesioindigotin
• CAS: 1356447-85-2
• 化学式: C₁₇H₁₂N₂O₂
• 分子量: 275.283
• InChiKey: QNOCRUSVMMAKSC-BJUDXGSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  49.41
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  [11C]methyl triflate 、 isoindigo 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 0.08h， 生成 N-(11)C-mesioindigotin
  参考文献：
  名称：

  Radiosynthesis of N-11C-meisoindigotin as a novel PET agent for imaging of cyclin-dependent kinases and GSK-3β

  摘要：

  Meisoindigotin has been demonstrated as a new type of cancer chemotherapeutic agent. N-C-11-meisoindigotin was synthesized by N-C-11-methylation of the isoindigotin precursor with C-11-labelled methyl triflate. The decay corrected radiochemical yields were 15-25%, and the specific radioactivity was 1.0-1.2 Ci/mu mol at the end of synthesis. The cellular uptake of [N-C-11]-meisoindigotin was evaluated in four different lung cancer cell lines. Our results showed that the A549, GLC-82, 95D cell lines exhibited higher uptake than 95C cell line after incubation for 60 min. N-C-11-meisoindigotin was a promising candidate for further development as a novel PET radiotracer for imaging of cyclin-dependent kinases (CDKs) and GSK-3 beta. (C) 2011 Jin Ming Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.10.014