| 1467076-96-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• CAS: 1467076-96-5
• 化学式: C₅₈H₃₆F₁₅O₆S₁₂
• 分子量: 1498.69
• InChiKey: GKWRKJKEDRIKMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.05
• 重原子数：
  91.0
• 可旋转键数：
  9.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  、 甘氨酰精氨酰甘氨酰天门冬氨酰丝氨酸 在 sodium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以62%的产率得到
  参考文献：
  名称：

  RGD-conjugated triarylmethyl radical as probe for electron paramagnetic imaging

  摘要：

  A stable RGD-conjugated triarylmethyl (TAM) radical 3 has been synthesized in a straightforward three-step sequence. CT-03 'the Finland trityl' which is a very popular contrast agent for electron paramagnetic resonance imaging has been covalently bound to the NH2-ending of a pentapeptide commonly used to target integrins and confers tissue selectivity. Moreover, this new TAM radical is stable and sensitive to molecular oxygen. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.08.120
• 作为产物：
  描述：

  五氟苯酚 、 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以64%的产率得到
  参考文献：
  名称：

  RGD-conjugated triarylmethyl radical as probe for electron paramagnetic imaging

  摘要：

  A stable RGD-conjugated triarylmethyl (TAM) radical 3 has been synthesized in a straightforward three-step sequence. CT-03 'the Finland trityl' which is a very popular contrast agent for electron paramagnetic resonance imaging has been covalently bound to the NH2-ending of a pentapeptide commonly used to target integrins and confers tissue selectivity. Moreover, this new TAM radical is stable and sensitive to molecular oxygen. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.08.120

文献信息

• Tetrathiatriarylmethyl Radicals Conjugated to an RGD-Peptidomimetic
  作者：Benoît Driesschaert、Philippe Levêque、Bernard Gallez、Jacqueline Marchand-Brynaert

  DOI：10.1002/ejoc.201403049

  日期：2014.12

  Tetrathiatriarylmethyl (TAM) radicals are favourite spin labels for electron paramagnetic resonance imaging (EPRI). In this work, we report a straightforward synthesis of new TAM radicals bound to an Arg-Gly-Asp (RGD)-peptido-mimetic known to be a cell-targeting agent. These new radicals are stable in solution, and sensitive to oxygen, and their experimental EPR data is consistent with density functional

  四硫三芳基甲基 (TAM) 自由基是电子顺磁共振成像 (EPRI) 中最受欢迎的自旋标记。在这项工作中，我们报告了与已知是细胞靶向剂的 Arg-Gly-Asp (RGD)-肽模拟物结合的新 TAM 自由基的直接合成。这些新自由基在溶液中稳定，对氧敏感，它们的实验 EPR 数据与密度泛函理论 (DFT) 计算一致。