Acid dissociation constants and molecular descriptors of some xylene linked bispyridinium oximes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11110%2F15%3A10314688" target="_blank" >RIV/00216208:11110/15:10314688 - isvavai.cz</a>
Alternative codes found
RIV/00179906:_____/15:10314688 RIV/60162694:G44__/15:43875432
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Acid dissociation constants and molecular descriptors of some xylene linked bispyridinium oximes
Original language description
The present article is aimed at determination of acid dissociation constants (pKa), lipophilicity (logP) and hydrogen bond acceptor (HBA) and donor (HBD) counts of some novel xylene-linked bispyridiniumoxime based AChE reactivators. The choice was supported by their use in the therapy of acute intoxication with organophosphorus AChE inhibitors. UV-Vis spectrophotometry has been used to measure experimental pKa values at 27oC, while software Marvin Sketch (chemaxon) has been used to estimate structure based computational pKa, logP values and hydrogen bonding parameters. The results were compared with standard oximes (HI-6 and obidoxime) under similar conditions. All the calculated pKa values lie in the range of 7.45-9.85 which is well in agreement withmost of the oxime reactivators studied so far.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
FR - Pharmacology and apothecary chemistry
OECD FORD branch
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Project
<a href="/en/project/GA15-16701S" target="_blank" >GA15-16701S: Concept of non-quaternary reactivators AChE as the antidotes of organophsophorus poisoning - a new hope or a blind way?</a><br>
Continuities
V - Vyzkumna aktivita podporovana z jinych verejnych zdroju

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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