Determination of acid dissociation constants, enthalpy, entropy andGibbs free energy of the baricitinib by the UV-metric and pH-metricanalysis

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F20%3A39916312" target="_blank" >RIV/00216275:25310/20:39916312 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216275:25530/20:39916312

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0731708520314187?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0731708520314187?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jpba.2020.113532" target="_blank" >10.1016/j.jpba.2020.113532</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Determination of acid dissociation constants, enthalpy, entropy andGibbs free energy of the baricitinib by the UV-metric and pH-metricanalysis

Popis výsledku v původním jazyce

Baricitinib is a drug used for the treatment of rheumatoid arthritis. It is a selective and reversible inhibitorof Janus kinases 1 and 2, which play an important role in signalling the pro-inflammatory pathwayactivated in autoimmune disorders such as rheumatoid arthritis. The pH-spectrophotometric and pH-potentiometric titrations allowed the measurement of three or four successive dissociation constantsof Baricitinib. Baricitinib neutral LH2molecule was able to protonate into two soluble cations LH42+,LH3+and dissociate into two soluble anions LH−and L2-in pure water. The graph of molar absorptioncoefficients of differently protonated species versus wavelength indicated that the spectra L, LH, LH2were the nearly the same for these species and that the spectra LH4and LH3were also similar. In thepH range from 2–13, four pKa´s of spectra analysis were reliably estimated by REACTLAB at I =0.0020 mol.dm-3values pKTa1= 3.07, pKTa2= 3.87, pKTa3= 6.27, pKTa4= 12.78 at 25◦C and pKTa1= 3.00, pKTa2= 3.79,pKTa3= 6.12, pKTa4= 12.75 at 37◦C. Potentiometric pH-titration analysis for a higher concentration of 1× 10-3mol. dm-3estimated with ESAB at I =0.0001 mol. dm-3values pKTa1= 3.69, pKTa2= 3.81, pKTa3=4.73 at 25◦C and pKTa1= 3.62, pKTa2= 3.73, pKTa3= 4.43 at 37◦C. Molar enthalpy H◦, molar entropy S◦and Gibbs free energy G◦were calculated from the spectra using a dependence ln K to 1/T.

Název v anglickém jazyce

Determination of acid dissociation constants, enthalpy, entropy andGibbs free energy of the baricitinib by the UV-metric and pH-metricanalysis

Popis výsledku anglicky

Baricitinib is a drug used for the treatment of rheumatoid arthritis. It is a selective and reversible inhibitorof Janus kinases 1 and 2, which play an important role in signalling the pro-inflammatory pathwayactivated in autoimmune disorders such as rheumatoid arthritis. The pH-spectrophotometric and pH-potentiometric titrations allowed the measurement of three or four successive dissociation constantsof Baricitinib. Baricitinib neutral LH2molecule was able to protonate into two soluble cations LH42+,LH3+and dissociate into two soluble anions LH−and L2-in pure water. The graph of molar absorptioncoefficients of differently protonated species versus wavelength indicated that the spectra L, LH, LH2were the nearly the same for these species and that the spectra LH4and LH3were also similar. In thepH range from 2–13, four pKa´s of spectra analysis were reliably estimated by REACTLAB at I =0.0020 mol.dm-3values pKTa1= 3.07, pKTa2= 3.87, pKTa3= 6.27, pKTa4= 12.78 at 25◦C and pKTa1= 3.00, pKTa2= 3.79,pKTa3= 6.12, pKTa4= 12.75 at 37◦C. Potentiometric pH-titration analysis for a higher concentration of 1× 10-3mol. dm-3estimated with ESAB at I =0.0001 mol. dm-3values pKTa1= 3.69, pKTa2= 3.81, pKTa3=4.73 at 25◦C and pKTa1= 3.62, pKTa2= 3.73, pKTa3= 4.43 at 37◦C. Molar enthalpy H◦, molar entropy S◦and Gibbs free energy G◦were calculated from the spectra using a dependence ln K to 1/T.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10406 - Analytical chemistry

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Pharmaceutical and Biomedical Analysis

ISSN

0731-7085

e-ISSN

—

Svazek periodika

191

Číslo periodika v rámci svazku

November

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

113532

Kód UT WoS článku

000579528000006

EID výsledku v databázi Scopus

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