The octadentate siderophore analog 3,4,3-LI(1,2-HOPO), denoted 343-HOPO hereafter, is known to have high affinity for both trivalent and tetravalent lanthanide and actinide cations. Here we extend its coordination chemistry to the rare-earth cations Sc³⁺ and Y³⁺ and characterize fundamental metal–chelator binding interactions in solution via UV-Vis spectrophotometry, nuclear magnetic resonance spectroscopy, and spectrofluorimetric metal-competition titrations, as well as in the solid-state via single crystal X-ray diffraction. Sc³⁺ and Y³⁺ binding with 343-HOPO is found to be robust, with both high thermodynamic stability and fast room temperature radiolabeling, indicating that 343-HOPO is likely a promising chelator for in vivo applications with both metals. As a proof of concept, we prepared a ⁸⁶Y-343-HOPO complex for in vivo PET imaging, and the results presented herein highlight the potential of 343-HOPO chelated trivalent metal cations for therapeutic and theranostic applications.

八齿铁载体类似物 3,4,3-LI(1,2-HOPO)，以下表示为 343-HOPO，已知对三价和四价镧系元素和锕系元素阳离子具有高亲和力。在这里，我们将其配位化学扩展到稀土阳离子 Sc ³⁺和 Y ³⁺，并通过紫外-可见分光光度法、核磁共振光谱和分光荧光金属竞争滴定以及通过单晶 X 射线衍射在固态中。Sc ³⁺和 Y ³⁺与 343-HOPO 的结合被发现是稳健的，具有高热力学稳定性和快速室温放射性标记，表明 343-HOPO 可能是一种有前途的螯合剂，可用于这两种金属的体内应用。作为概念证明，我们制备了一种用于体内 PET 成像的^{86 Y-343-HOPO 复合物，此处展示的结果突出了 343-HOPO 螯合三价金属阳离子在治疗和诊疗应用中的潜力。}