c(RGDIK) TFA salt | 1400993-40-9

• 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
• 英文名称: c(RGDIK) TFA salt
• CAS: 1400993-40-9
• 化学式: C₂HF₃O₂*C₄₄H₆₅N₉O₁₀S
• 分子量: 1026.14
• InChiKey: PMXCGSHVBSKWIU-JGEPAZAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  71.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  326.4
• 氢给体数：
  10.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  c(RGDIK) TFA salt 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 0.25h， 生成
  参考文献：
  名称：

  [EN] BIFUNCTIONAL LIGANDS FOR RADIOMETALS
  [FR] LIGANDS BIFONCTIONNELS POUR MÉTAUX RADIOACTIFS

  摘要：

  本发明涉及核医学、分子成像、以及靶向治疗和靶向放射治疗领域，即利用功能化靶向载体或额外信号单元的螯合剂与金属离子放射性核素结合的放射性药物，用于成像和靶向放射治疗。

  公开号：

  WO2013060793A1

文献信息

• Methods and compositions for the rapid synthesis of radiometal-labeled probes
  申请人：University of Southern California

  公开号：US09447149B2

  公开（公告）日：2016-09-20

  The present application is directed to rapid and efficient synthesis of radiometal-labeled probes, pharmaceutical compositions comprising radiometal-labeled probes, and methods of using the radiometal-labeled probes. Such radiometal-labeled probes can be used in imaging studies, such as Positron Emitting Tomography (PET) or Single Photon Emission Computed Tomography (SPECT), and therapy studies.

  本申请涉及放射金属标记探针的快速高效合成，包括含有放射金属标记探针的药物组合物，以及使用放射金属标记探针的方法。这种放射金属标记探针可用于成像研究，如正电子发射断层扫描（PET）或单光子发射计算机断层扫描（SPECT），以及治疗研究。
• Strain-Promoted Catalyst-Free Click Chemistry for Rapid Construction of ⁶⁴Cu-Labeled PET Imaging Probes
  作者：Kai Chen、Xinlu Wang、Wei-Yu Lin、Clifton K.-F. Shen、Li-Peng Yap、Lindsey D. Hughes、Peter S. Conti

  DOI：10.1021/ml300236m

  日期：2012.12.13

  A rapid, efficient, and catalyst-free click chemistry method for the construction of Cu-64-labeled PET imaging probes was reported based on the strain-promoted aza-dibenzocyclooctyne ligation. This new method was exemplified in the synthesis of Cu-64-labeled RGD peptide for PET imaging of tumor integrin alpha(v)beta(3) expression in vivo. The catalyst-free click chemistry reaction proceeded with a fast rate and eliminated the contamination problem of the catalyst Cu(I) ions interfering with the Cu-64 radiolabeling procedure under the conventional Cu-catalyzed 1,3-dipolar cycloaddition condition. The new strategy is simple and robust, and the resultant Cu-64-labeled RGD probe was obtained in an excellent yield and high specific activity. PET imaging and biodistribution studies revealed significant, specific uptake of the "click" Cu-64-labeled RGD probe in integrin alpha(v)beta(3)-positive U87MG xenografts with little uptake in nontarget tissues. This new approach is versatile, which warrants a wide range of applications for highly diverse radiometalated bioconjugates for radioimaging and radiotherapy.