| 1329058-56-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1329058-56-1
• 化学式: C₁₇H₁₉F₆NO₃
• 分子量: 399.333
• InChiKey: FOZFMZMOVDTASB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 生成
  参考文献：
  名称：

  Construction of a 19F-lectin biosensor for glycoprotein imaging by using affinity-guided DMAP chemistry

  摘要：

  In this study, assisted by affinity-guided DMAP strategy, we developed a novel F-19-modified lectin as a biosensor for specific detection and imaging of glycoproteins. Exploited the large chemical shift anisotropy property of F-19 nuclei, glycoproteins detected by our F-19-biosensor are signatured by broadened peaks in F-19 NMR, hence enabled the distinction between glycoproteins and small molecule saccharides. Such signal on/off switching was also applied to glycoprotein imaging by F-19 MRI. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.038
• 作为产物：
  描述：

  3,5-双三氟甲基苯甲酸 、 4-氨基丁酸叔丁酯盐酸盐 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以28%的产率得到
  参考文献：
  名称：

  Construction of a 19F-lectin biosensor for glycoprotein imaging by using affinity-guided DMAP chemistry

  摘要：

  In this study, assisted by affinity-guided DMAP strategy, we developed a novel F-19-modified lectin as a biosensor for specific detection and imaging of glycoproteins. Exploited the large chemical shift anisotropy property of F-19 nuclei, glycoproteins detected by our F-19-biosensor are signatured by broadened peaks in F-19 NMR, hence enabled the distinction between glycoproteins and small molecule saccharides. Such signal on/off switching was also applied to glycoprotein imaging by F-19 MRI. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.038