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In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
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Rational Design and Development of an Acyclic Chelator H4pyox for Theranostic Radiometal Labeling under Mild

Jian Yan1,2, Jingjing Yao1,2, Yu Qiu1,2

  • 1Theranostics and Translational Research Center, National Infrastructures for Translational Medicine, Institute of Clinical Medicine & Peking Union Medical College Hospital, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100730, China.

Inorganic Chemistry
|April 27, 2026
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Summary

A new acyclic chelator, H4pyox, enables rapid and stable coordination of diagnostic and therapeutic radionuclides like 177Lu under mild conditions, outperforming DOTA for radiopharmaceutical development.

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Area of Science:

  • Nuclear Medicine
  • Radiochemistry
  • Materials Science

Background:

  • Integrated diagnostic and therapeutic nuclear medicine demands efficient chelators for coordinating multiple radionuclides under mild conditions.
  • Existing chelators like DOTA often require high temperatures for effective radionuclide complexation.

Purpose of the Study:

  • To develop a novel acyclic chelator, H4pyox, with preorganized structure for rapid kinetics and high thermodynamic stability.
  • To evaluate the performance of H4pyox in coordinating various diagnostic and therapeutic radionuclides compared to DOTA.
  • To assess the stability and in vivo behavior of H4pyox-based radiometal complexes for clinical translation.

Main Methods:

  • Synthesis and characterization of the acyclic chelator H4pyox and its activated ester derivative H4pyox-NHS.
  • Radiochemical yield determination for various radionuclides (e.g., 68Ga, 86Y, 177Lu) under ambient temperature.
  • Stability studies of [177Lu]Lu-pyox complex in saline and mouse serum.
  • In vivo preclinical evaluation using single-photon emission computed tomography/computed tomography (SPECT/CT) imaging.

Main Results:

  • H4pyox achieved quantitative radiochemical yields for multiple radionuclides within 10 minutes at ambient temperature, unlike DOTA which requires heating.
  • H4pyox demonstrated superior performance for 177Lu complexation, maintaining high yields at low concentrations (10-7 M).
  • The [177Lu]Lu-pyox complex exhibited excellent stability in vitro and in vivo, with a dual renal/hepatobiliary excretion pathway observed in SPECT/CT imaging.

Conclusions:

  • H4pyox is a promising acyclic chelator for radiopharmaceutical development, offering rapid kinetics and high stability under mild conditions.
  • H4pyox provides a valuable alternative to DOTA, particularly for targeting vectors with limited thermal stability.
  • The developed H4pyox-based radiopharmaceuticals show potential for integrated diagnostic and therapeutic applications in nuclear medicine.