Cy7-Lys(SMCC)-CHX-A'' | 1107581-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Cy7-Lys(SMCC)-CHX-A''
• CAS: 1107581-10-1
• 化学式: C₇₈H₁₀₁N₉O₂₁S₂
• 分子量: 1564.84
• InChiKey: RQJYRJXZMSBOKC-HQLKRWKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.84
• 重原子数：
  110.0
• 可旋转键数：
  41.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  438.72
• 氢给体数：
  9.0
• 氢受体数：
  19.0

反应信息

• 作为产物：
  描述：

  2-[[(2R)-3-[4-[[(2S)-2-amino-6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoyl]amino]phenyl]-2-[bis(carboxymethyl)amino]propyl]-[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]amino]acetic acid 、 CY7-N-羟基琥珀酰胺酯 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 以31%的产率得到Cy7-Lys(SMCC)-CHX-A''
  参考文献：
  名称：

  Toward preparation of antibody-based imaging probe libraries for dual-modality positron emission tomography and fluorescence imaging

  摘要：

  Two novel imaging agents trastuzumab-Cy5.5-CHX-A '' 1 and cetuximab-Cy7-CHX-A '' 2, bearing both a chelating moiety (CHX-A '') for sequestering metallic radionuclides (Y-86 or In-111) and the near infrared dye Cy5.5/Cy7, were prepared by a novel modular synthetic strategy as examples of dual-labeled, anti-body-based imaging probe library. Fluorescent microscopy illustrated that 1 and 2 strongly bind to HER2-expressing cancer cells (e.g., NIH3T3-HER2(+), SKOV-3) and to EGFR-expressing cancer cells (e. g., A431), respectively, thereby demonstrating that the functionality of the targeting moiety is conserved. Hence, the described novel synthesis strategy can be applied to engineer other tumor-targeted monoclonal antibody based probes for multimodality imaging. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2009.05.048