MedKoo Cat#: 555723 | Name: KUN74367

Description:

WARNING: This product is for research use only, not for human or veterinary use.

KUN74367, also known as 3,4,3-LI(1,2-HOPO), is a powerful metal ligand and chelating agent for removal of toxic heavy metals such as Pd, Cd, Ni, Su, Hg, etc. KUN74367 is an octadentate chelator that stabilizes chelation of radiolabels (e.g., 89Zr) for targeted PET imaging that is an alternative to DFO. The complex with 89Zr exhibits equal or superior stability compared to DFO in chem. and biol. assays across a period of several days in vivo. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

KUN74367
KUN74367
CAS#110874-36-7

Theoretical Analysis

MedKoo Cat#: 555723

Name: KUN74367

CAS#: 110874-36-7

Chemical Formula: C34H38N8O12

Exact Mass: 750.2609

Molecular Weight: 750.72

Elemental Analysis: C, 54.40; H, 5.10; N, 14.93; O, 25.57

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
3,4,3-LI(1,2-HOPO); KUN74367; KUN-74367; KUN 74367;
IUPAC/Chemical Name
N,N'-(butane-1,4-diyl)bis(1-hydroxy-N-(3-(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamido)propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide)
InChi Key
KUWKQASGHNTJAT-UHFFFAOYSA-N
InChi Code
InChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-16,51-54H,1-2,7-8,17-22H2,(H,35,47)(H,36,48)
SMILES Code
O=C1C=CC=C(C(NCCCN(C(C2=CC=CC(N2O)=O)=O)CCCCN(C(C3=CC=CC(N3O)=O)=O)CCCNC(C4=CC=CC(N4O)=O)=O)=O)N1O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
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 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 0.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 750.72 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Pallares RM, Carter KP, Zeltmann SE, Tratnjek T, Minor AM, Abergel RJ. Selective Lanthanide Sensing with Gold Nanoparticles and Hydroxypyridinone Chelators. Inorg Chem. 2020 Feb 3;59(3):2030-2036. doi: 10.1021/acs.inorgchem.9b03393. Epub 2020 Jan 23. PubMed PMID: 31971379. 2: Carter KP, Smith KF, Tratnjek T, Shield KM, Moreau LM, Rees JA, Booth CH, Abergel RJ. Spontaneous Chelation-Driven Reduction of the Neptunyl Cation in Aqueous Solution. Chemistry. 2020 Jan 8. doi: 10.1002/chem.201905695. [Epub ahead of print] PubMed PMID: 31914232. 3: Ricano A, Captain I, Carter KP, Nell BP, Deblonde GJ, Abergel RJ. Combinatorial design of multimeric chelating peptoids for selective metal coordination. Chem Sci. 2019 Jun 12;10(28):6834-6843. doi: 10.1039/c9sc01068h. eCollection 2019 Jul 28. PubMed PMID: 31391906; PubMed Central PMCID: PMC6657411. 4: Sadhu B, Dolg M. Enhancing Actinide(III) over Lanthanide(III) Selectivity through Hard-by-Soft Donor Substitution: Exploitation and Implication of Near-Degeneracy-Driven Covalency. Inorg Chem. 2019 Aug 5;58(15):9738-9748. doi: 10.1021/acs.inorgchem.9b00705. Epub 2019 Jul 25. PubMed PMID: 31343876. 5: Deblonde GJ, Ricano A, Abergel RJ. Ultra-selective ligand-driven separation of strategic actinides. Nat Commun. 2019 Jun 4;10(1):2438. doi: 10.1038/s41467-019-10240-x. PubMed PMID: 31164638; PubMed Central PMCID: PMC6547845. 6: Deblonde GJ, Lohrey TD, Abergel RJ. Inducing selectivity and chirality in group IV metal coordination with high-denticity hydroxypyridinones. Dalton Trans. 2019 Jun 11;48(23):8238-8247. doi: 10.1039/c9dt01031a. PubMed PMID: 31094380. 7: Agbo P, Müller A, Arnedo-Sanchez L, Ercius P, Minor AM, Abergel RJ. Amplified luminescence in organo-curium nanocrystal hybrids. Nanoscale. 2019 Apr 23;11(16):7609-7612. doi: 10.1039/c9nr01360a. PubMed PMID: 30969284. 8: Younes A, Creff G, Beccia MR, Moisy P, Roques J, Aupiais J, Hennig C, Solari PL, Den Auwer C, Vidaud C. Is hydroxypyridonate 3,4,3-LI(1,2-HOPO) a good competitor of fetuin for uranyl metabolism? Metallomics. 2019 Feb 20;11(2):496-507. doi: 10.1039/c8mt00272j. PubMed PMID: 30644488. 9: Sadhu B, Mishra V. The coordination chemistry of lanthanide and actinide metal ions with hydroxypyridinone-based decorporation agents: orbital and density based analyses. Dalton Trans. 2018 Nov 27;47(46):16603-16615. doi: 10.1039/c8dt03262a. PubMed PMID: 30417921. 10: Carter KP, Jian J, Pyrch MM, Forbes TZ, Eaton TM, Abergel RJ, de Jong WA, Gibson JK. Reductive activation of neptunyl and plutonyl oxo species with a hydroxypyridinone chelating ligand. Chem Commun (Camb). 2018 Sep 20;54(76):10698-10701. doi: 10.1039/c8cc05626a. PubMed PMID: 30187044. 11: Chen S, Ko R, Lai EPC, Wyatt H, Abergel RJ, Li C. ENCAPSULATED 3,4,3-LI(1,2-HOPO) IN CHITOSAN NANOPARTICLES FOR DECORPORATION VIA INHALATION. Radiat Prot Dosimetry. 2018 Dec 1;182(1):107-111. doi: 10.1093/rpd/ncy139. PubMed PMID: 30165556. 12: Tazrart A, Bolzinger MA, Lamart S, Coudert S, Angulo JF, Jandard V, Briançon S, Griffiths NM. Actinide-contaminated Skin: Comparing Decontamination Efficacy of Water, Cleansing Gels, and DTPA Gels. Health Phys. 2018 Jul;115(1):12-20. doi: 10.1097/HP.0000000000000814. PubMed PMID: 29787426. 13: Kelley MP, Deblonde GJ, Su J, Booth CH, Abergel RJ, Batista ER, Yang P. Bond Covalency and Oxidation State of Actinide Ions Complexed with Therapeutic Chelating Agent 3,4,3-LI(1,2-HOPO). Inorg Chem. 2018 May 7;57(9):5352-5363. doi: 10.1021/acs.inorgchem.8b00345. Epub 2018 Apr 6. PubMed PMID: 29624372. 14: Rees JA, Deblonde GJ, An DD, Ansoborlo C, Gauny SS, Abergel RJ. Evaluating the potential of chelation therapy to prevent and treat gadolinium deposition from MRI contrast agents. Sci Rep. 2018 Mar 13;8(1):4419. doi: 10.1038/s41598-018-22511-6. PubMed PMID: 29535330; PubMed Central PMCID: PMC5849765. 15: Agbo P, Abergel RJ. Ligand-Sensitized Lanthanide Nanocrystals: Merging Solid-State Photophysics and Molecular Solution Chemistry. Inorg Chem. 2016 Oct 17;55(20):9973-9980. Epub 2016 Jun 30. PubMed PMID: 27362470. 16: An DD, Kullgren B, Jarvis EE, Abergel RJ. From early prophylaxis to delayed treatment: Establishing the plutonium decorporation activity window of hydroxypyridinonate chelating agents. Chem Biol Interact. 2017 Apr 1;267:80-88. doi: 10.1016/j.cbi.2016.03.034. Epub 2016 Mar 31. PubMed PMID: 27038878; PubMed Central PMCID: PMC5045775. 17: Sturzbecher-Hoehne M, Yang P, D'Aléo A, Abergel RJ. Intramolecular sensitization of americium luminescence in solution: shining light on short-lived forbidden 5f transitions. Dalton Trans. 2016 Jun 14;45(24):9912-9. doi: 10.1039/c6dt00328a. PubMed PMID: 26961598. 18: Daumann LJ, Werther P, Ziegler MJ, Raymond KN. Siderophore inspired tetra- and octadentate antenna ligands for luminescent Eu(III) and Tb(III) complexes. J Inorg Biochem. 2016 Sep;162:263-273. doi: 10.1016/j.jinorgbio.2016.01.006. Epub 2016 Jan 9. PubMed PMID: 26832605. 19: Deri MA, Ponnala S, Kozlowski P, Burton-Pye BP, Cicek HT, Hu C, Lewis JS, Francesconi LC. p-SCN-Bn-HOPO: A Superior Bifunctional Chelator for (89)Zr ImmunoPET. Bioconjug Chem. 2015 Dec 16;26(12):2579-91. doi: 10.1021/acs.bioconjchem.5b00572. Epub 2015 Nov 25. PubMed PMID: 26550847; PubMed Central PMCID: PMC4962612. 20: Choi TA, Endsley AN, Bunin DI, Colas C, An DD, Morales-Rivera JA, Villalobos JA, Shinn WM, Dabbs JE, Chang PY, Abergel RJ. Biodistribution of the multidentate hydroxypyridinonate ligand [(14) C]-3,4,3-LI(1,2-HOPO), a potent actinide decorporation agent. Drug Dev Res. 2015 May;76(3):107-22. doi: 10.1002/ddr.21246. Epub 2015 Apr 6. PubMed PMID: 25857483.