Expanding the Family of Monosubstituted 15-Membered Pyridine-Based Macrocyclic Ligands for Mn(II) Complexation in the Context of MRI
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F25%3A73633968" target="_blank" >RIV/61989592:15310/25:73633968 - isvavai.cz</a>
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.inorgchem.5c00452" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.inorgchem.5c00452</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.5c00452" target="_blank" >10.1021/acs.inorgchem.5c00452</a>
Alternative languages
Result language
angličtina
Original language name
Expanding the Family of Monosubstituted 15-Membered Pyridine-Based Macrocyclic Ligands for Mn(II) Complexation in the Context of MRI
Original language description
As Mn(II) complexes attract continuous interest as alternatives to Gd-based contrast agents (CAs) in clinical magnetic resonance imaging (MRI), we synthesized two monosubstituted derivatives of the 15-membered pyridine-based macrocycle 15-pyN3O2 bearing either a 2-pyridylmethyl (L2) or a 2-benzimidazolylmethyl pendant arm (L3) and characterized their Mn(II) complexes MnL2 and MnL3 in the context of MRI contrast agent development. Their X-ray molecular structures confirmed a coordination number of seven and a pentagonal bipyramidal geometry with one coordination site available for inner-sphere water. Protonation constants of L2 and L3, and stability constants with selected divalent metal ions were determined using potentiometry. MnL2 and MnL3 complexes are fully formed at pH 7.4; however, they both display low kinetic inertness due to a significant spontaneous dissociation of the nonprotonated complex. The presence of one inner-sphere water molecule in the Mn(II) complexes was confirmed by 17O NMR and 1H NMRD measurements. The water exchange rate constants are very low (k ex 298 = 0.46 x 107 and 0.23 x 107 s-1 for MnL2 and MnL3, respectively), but typical for Mn(II) complexes of 15-pyN3O2 derivatives. The relaxivities are in good agreement with monohydrated small-molecular-weight Mn(II) chelates (r 1 = 2.49 and 2.77 mM-1 s-1 at 20 MHz, 25 degrees C, for MnL2 and MnL3, respectively).
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
<a href="/en/project/EF18_053%2F0016919" target="_blank" >EF18_053/0016919: Support of mobility at Palacky University Olomouc II.</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
INORGANIC CHEMISTRY
ISSN
0020-1669
e-ISSN
1520-510X
Volume of the periodical
64
Issue of the periodical within the volume
16
Country of publishing house
US - UNITED STATES
Number of pages
17
Pages from-to
8205-8221
UT code for WoS article
001469596800001
EID of the result in the Scopus database
2-s2.0-105003772636