5,6,8-trimethoxy-1-[(11)C]methyl-4-methylquinolin-2(1H)-one | 1251942-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5,6,8-trimethoxy-1-[(11)C]methyl-4-methylquinolin-2(1H)-one
• CAS: 1251942-32-1
• 化学式: C₁₄H₁₇NO₄
• 分子量: 262.282
• InChiKey: PJUNWPXRLZUYPB-JVVVGQRLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49.69
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  5,6,8-trimethoxy-4-methylquinolin-2(1H)-one 、 [11C]methyl triflate 在 sodium hydride 作用下， 以 乙腈 为溶剂， 生成 5,6,8-trimethoxy-1-[(11)C]methyl-4-methylquinolin-2(1H)-one
  参考文献：
  名称：

  Synthesis of carbon-11-labeled casimiroin analogues as new potential PET agents for imaging of quinone reductase 2 and aromatase expression in breast cancer

  摘要：

  Carbon-11-labeled casimiroin analogues were first designed and synthesized as new potential PET agents for imaging of quinone reductase (QR) 2 and aromatase expression in breast cancer. [C-11]casimiroin (6-[C-11]rnethoxy-9-methyl-[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, [C-11]11) and its carbon-11-labeled analogues 5,6,8-trimethoxy-1-[C-11]methyl-4-methylquinolin-2(1H)-one ([C-11]17), 8-methoxy-1-[C-11]methyl-4-methylquinolin-2(1H)-one ((11)[C]21a), 6,8-dimethoxy-1-(11)[C]methyl-4-methylquinolin-2(1H)-one ([C-11]21b), and 5,8-dimethoxy-1-[C-11]methyl-4-methylquinolin-2(1H)-one ([C-11]21c), were prepared from their corresponding precursors with [C-11]methyl triflate ([C-11]CH3OTf) under basic conditions (NaH) through either O- or N-[C-11]methylation and isolated by semi-preparative HPLC method in 40-50% radiochemical yields decay corrected to end of bombardment (EOB), based on [C-11]CO2, and 111-185 GBq/mu mol specific activity at the end of synthesis (EOS). (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2010.06.004