3,4,3-Li(1,2-HOPO),cas 110874-36-7,Gadolinium Chelator

3,4,3-Li(1,2-HOPO) CAS No.: 110874-36-7 Gadolinium chelating agent

Use:
1. Environmental contaminants like lead and cadmium

2. Gadolinium that deposits in the body after exposure to MRI contrast agents

3. Radioactive elements such as plutonium, americium, and other actinides

MF:C34H38N8O12
MW:750.71

 

 

 

 

 

Synonyms:
HOPO,
KUN74367,
KUN-74367,
N,N'-1,4-Butanediylbis(N-(3-(((1,6-dihydro-1-hydroxy-6-oxo-2-pyridinyl)carbonyl)amino)propyl)-1,6-dihydro-1-hydroxy-6-oxo-2-
pyridinecarboxamide,hydroxypyridonate,LiHOPO,
treatment of Gadolinium Poisoning,
Gd Poisoning,
Gadolinium chelating agent,
Gadolinium Chelator

Properties:
Appearance: Solid powder
Solubility: Soluble in DMSO
Drug Formulation: This drug may be formulated in DMSO
Purity:  95%+;   98%+

Introduction
3,4,3-Li(1,2-HOPO) is a very efficient ligand to remove actinides from the body after simulated contamination.and It has been
evaluated for potential biomedical applications; thus, toxicology and pharmacology studies have already been completed. In addition,
the in vivo stability of metal complexes of 3,4,3-Li(1,2-HOPO)formed with both trivalent (Eu, Am, Cm) and tetravalent (Zr, Pu)
metals has been investigated in multiple studies, using ex vivo radioanalytical techniques and in vivo PET imaging.

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks
during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0-4℃ for short term (days to weeks) or -20℃ for long term (months to years).
Shelf Life: >3 years if stored properly
HS Tariff Code: 2934.99.9001

Experiment and Practice
3,4,3-Li(1,2-HOPO) CAS No.: 110874-36-7 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 with3,4,3-Li(1,2-HOPO) CAS No.: 110874-36-7 is found to be robust, with both high thermodynamic stability and fast room temperature radiolabeling, indicating that 3,4,3-Li(1,2-HOPO) CAS No.: 110874-36-7 is likely a promising chelator for in vivo applications with both metals. So the potential of 343-HOPO chelated trivalent metal cations for therapeutic and theranostic applications.

Siderophore-inspired multidentate hydroxypyridonate ligands can be used in a variety of applications such as magnetic resonance imaging (MRI) contrast enhancement, lanthanide luminescence sensitization, and iron and actinide chelation.The octadentate ligand 3,4,3-LI(1,2-HOPO), composed of four 1-hydroxy-pyridin-2-one (1,2-HOPO) units linked to a spermine scaffold through amide linkages, is currently considered the most efficient experimental decorporation agent for actinides.Studies have shown that this ligand is orally active and is by far more efficacious than the commonly used diethylenetriamine-pentaacetic acid at promoting the in vivo decorporation of actinide metal ions, such as UVI, NpV, PuIV, and AmIII.In addition, 3,4,3-LI(1,2-HOPO) is known to act as an antenna that sensitizes the luminescence of EuIII, a feature that was used recently to determine the solution thermodynamic stability of the corresponding [EuIII(3,4,3-LI(1,2-HOPO))]? complex. In the work presented here, the photophysical properties of the complexes of 3,4,3-LI(1,2-HOPO) formed with metal ions from the whole lanthanide series were probed and characteristic emission sensitization was observed in both the Visible and Near Infra-Red ranges, depending on the complexed metal ion. The use of the antenna effect as a spectroscopic tool was extended to spectrofluorimetric competition titrations, to determine the formation constants of these lanthanide complexes. While such thermodynamic parameters are essential to characterize 3,4,3-LI(1,2-HOPO) as a chelating agent and compare its affinity to different metal ions, they are only indicative of the potential in vivo decorporation efficacy of the
ligand. The in vivo EuIII complex stability and EuIII decorporation capacity of 3,4,3-LI(1,2-HOPO) were therefore also assessed in mice, using the radioactive isotope 152Eu as a contaminant, which provides a direct comparison with the in vitro thermodynamic results.

The high affinity of this chelator for lanthanides, as compared to DTPA, indicates its potential as a therapeutic chelating agent for f-block metal ions, which was confirmed through the first in vivo decorporation and stability experiments using the radiotracer 152Eu, a common fission product in the nuclear fuel process. Other radionuclides potentially targeted by 3,4,3-LI(1,2-HOPO) include tri- and tetravalent actinides such as Pu(IV) and Am(III). The analytical methods used here will be applied to the determination of the photophysical properties and thermodynamic parameters of the corresponding 3,4,3-LI(1,2-HOPO) complexes, providing a rationale to the use and design of new decorporation agents. In addition, sensing f-block metal ions through luminescence spectroscopy has the potential to ease and significantly improve current actinide detection and characterization methods in terms of selectivity and accuracy.

References
1. P. W. Durbin, Health Phys., 2008, 95, 465-492.
2. K. Djanashvili and J. A. Peters, Contrast Media Mol. Imaging, 2007, 2, 67-71.
3. E. G. Moore, A. P. S. Samuel, and K. N. Raymond, Acc. Chem. Res., 2009, 42, 542-552.
4. R. C. Scarrow, P. E. Riley, K. Abu-Dari, D. L. White, and K. N. Raymond, Inorg. Chem., 1985, 24, 954-967.
5. E. J. Werner, A. Datta, C. J. Jocher, and K. N. Raymond, Angew. Chem. Int. Ed., 2008, 47, 8568-8580.
6. R. J. Abergel, P. W. Durbin, B. Kullgren, S. N. Ebbe, J. Xu, P. Y. Chang, D. I. Bunin, E. A. Blakely, K. A. Bjornstad, C. J.
Rosen, D. K. Shuh, and K.
E. G. Moore, C. J. Jocher, J. Xu, E. J. Werner, and K. N. Raymond, Inorg. Chem., 2007, 46, 5468-5470.
N. Raymond, Health Phys., 2010, 99, 401-407.
7. P. W. Durbin, B. Kullgren, S. N. Ebbe, J. Xu, and K. N. Raymond, Health Phys., 2000, 78, 511.
8. R. J. Abergel and K. N. Raymond, Hemoglobin, 2011, 35.
9. R. J. Abergel, A. D’Aleo, C. Ng Pak Leung, D. K. Shuh, and K. N. Raymond, Inorg. Chem., 2009, 48, 10868-10870.
10. P. Gans and B. O’Sullivan, Talanta, 2000, 51, 33-37.
11. A. Heller, A. Barkleit, and G. Bernhard, Chem. Res. Toxicol., 2011, 24, 193-203.
12. P. Gans, A. Sabatini, and A. Vacca, HYPERQUAD2000, Leeds, U.K. Florence, Italy.
13. P. Gans, A. Sabatini, and A. Vacca, Talanta, 1996, 43, 1739-1753.
14. P. Gans, A. Sabatini, and A. Vacca, Ann. Chim., 1999, 89, 45-49.
15. P. Gans, A. Sabatini, and A. Vacca, HypSpec, Leeds, U.K. Florence, Italy.

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