| 1268388-14-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1268388-14-2
• 化学式: C₁₂H₁₁F₆NO₃
• 分子量: 331.215
• InChiKey: JVYBLUAHCYBWTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  69.56
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 4,4'-双甲氧基三苯甲基氯 在 4-二甲氨基吡啶 作用下， 以 吡啶 为溶剂， 以23%的产率得到C₃₃H₂₉F₆NO₅
  参考文献：
  名称：

  Signal turn-on probe for nucleic acid detection based on 19F nuclear magnetic resonance

  摘要：

  To image gene expression in vivo, we designed and synthesized a novel signal turn-on probe for F-19 nuclear magnetic resonance (MR) imaging based on paramagnetic relaxation enhancement. The stem-loop structured oligodeoxyribonucleotide (ODN) having a molecular beacon sequence for point mutated K-ras mRNA was doubly labeled with bis(trifluoromethyl)benzene moiety and Gd-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid chelate moiety at the each termini of the ODN probe, respectively. We found that the F-19 MR signal of the bis(trifluoromethyl) benzene moiety tethered at the 5' termini of the probe turned on by the addition of complementary ODN. The probe has the potential to image gene expressions in vivo. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.013
• 作为产物：
  描述：

  3,5-双三氟甲基苯甲酸 、 丝氨醇 在 1-羟基苯并三唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以75%的产率得到
  参考文献：
  名称：

  Signal turn-on probe for nucleic acid detection based on 19F nuclear magnetic resonance

  摘要：

  To image gene expression in vivo, we designed and synthesized a novel signal turn-on probe for F-19 nuclear magnetic resonance (MR) imaging based on paramagnetic relaxation enhancement. The stem-loop structured oligodeoxyribonucleotide (ODN) having a molecular beacon sequence for point mutated K-ras mRNA was doubly labeled with bis(trifluoromethyl)benzene moiety and Gd-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid chelate moiety at the each termini of the ODN probe, respectively. We found that the F-19 MR signal of the bis(trifluoromethyl) benzene moiety tethered at the 5' termini of the probe turned on by the addition of complementary ODN. The probe has the potential to image gene expressions in vivo. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.013