Thermal stability kinetics and shelf life estimation of the redox-active therapeutic and mimic of superoxide dismutase enzyme, Mn(III) meso-Tetrakis(N-ethylpyridinium-2-yl)porphyrin Chloride (MnTE-2-PyPCl5, BMX-010)

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dc.creatorClarissa Gomes de Carvalho Maia
dc.creatorBárbara Caroline Rodrigues de Araujo
dc.creatorMaria Betânia de Freitas Marques
dc.creatorIsrael Ferreira da Costa
dc.creatorMaria Irene Yoshida
dc.creatorWagner da Nova Mussel
dc.creatorRita de Cássia de Oliveira Sebastião
dc.creatorJúlio Santos Rebouças
dc.date.accessioned2026-02-25T15:33:12Z
dc.date.issued2021
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipFINEP - Financiadora de Estudos e Projetos, Financiadora de Estudos e Projetos
dc.identifier.doihttps://doi.org/10.1155/2021/7003861
dc.identifier.issn1942-0994
dc.identifier.urihttps://hdl.handle.net/1843/1772
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofOxidative Medicine and Cellular Longevity
dc.rightsAcesso aberto
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectCinética química
dc.subjectFarmacocinética
dc.subjectTermogravimetria
dc.subjectRedes neurais (Computação)
dc.subjectPele - Doenças
dc.subjectSuperóxido desmutase
dc.subjectPorfirina e compostos de porfirina
dc.subject.otherThermal stability kinetics
dc.subject.otherThermogravimetry
dc.subject.otherDiferential thermal analyses
dc.subject.otherSuperoxide dismutase mimics
dc.subject.otherRedox-active therapeutics
dc.titleThermal stability kinetics and shelf life estimation of the redox-active therapeutic and mimic of superoxide dismutase enzyme, Mn(III) meso-Tetrakis(N-ethylpyridinium-2-yl)porphyrin Chloride (MnTE-2-PyPCl5, BMX-010)
dc.typeArtigo de periódico
local.citation.issue1
local.citation.volume2021
local.creator.Latteshttp://lattes.cnpq.br/7709400301923238
local.creator.Latteshttp://lattes.cnpq.br/4493256030804307
local.creator.Latteshttp://lattes.cnpq.br/8670717808004107
local.creator.Latteshttp://lattes.cnpq.br/2324377431813617
local.creator.Latteshttp://lattes.cnpq.br/6473264538281674
local.creator.Latteshttp://lattes.cnpq.br/3024747722960663
local.creator.Latteshttp://lattes.cnpq.br/6468464413263797
local.creator.Latteshttp://lattes.cnpq.br/0305007181787906
local.description.resumoMn(III) meso-tetrakis(N-ethylpyridinium-2-yl)porphyrin chloride (MnTE-2-PyPCl5, BMX-010, and AEOL10113) is among the most studied superoxide dismutase (SOD) mimics and redox-active therapeutics, being currently tested as a drug candidate in a phase II clinical trial on atopic dermatitis and itch. The thermal stability of active pharmaceutical ingredients (API) is useful for estimating the expiration date and shelf life of pharmaceutical products under various storage and handling conditions. The thermal decomposition and kinetic parameters of MnTE-2-PyPCl5 were determined by thermogravimetry (TG) under nonisothermal and isothermal conditions. The first thermal degradation pathway affecting Mn-porphyrin structural integrity and, thus, activity and bioavailability was associated with loss of ethyl chloride via N-dealkylation reaction. The thermal stability kinetics of the N-dealkylation process leading to MnTE-2-PyPCl5 decomposition was investigated by using isoconversional models and artificial neural network. The new multilayer perceptron (MLP) artificial neural network approach allowed the simultaneous study of ten solid-state kinetic models and showed that MnTE-2-PyPCl5 degradation is better explained by a combination of various mechanisms, with major contributions from the contraction models R1 and R2. The calculated activation energy values from isothermal and nonisothermal data were about 90 kJ mol–1 on average and agreed with one another. According to the R1 modelling of the isothermal decomposition data, the estimated shelf life value for 10% decomposition (t90%) of MnTE-2-PyPCl5 at 25°C was approximately 17 years, which is consistent with the high solid-state stability of the compound. These results represent the first study on the solid-state decomposition kinetics of Mn(III) 2-N-alkylpyridylporphyrins, contributing to the development of this class of redox-active therapeutics and SOD mimics and providing supporting data to protocols on purification, handling, storage, formulation, expiration date, and general use of these compounds.
local.identifier.orcidhttps://orcid.org/0000-0002-6394-7184
local.identifier.orcidhttps://orcid.org/0000-0003-3419-394X
local.identifier.orcidhttps://orcid.org/0000-0002-0561-2343
local.identifier.orcidhttps://orcid.org/0000-0002-4829-0663
local.identifier.orcidhttps://orcid.org/0000-0002-6795-9457
local.identifier.orcidhttps://orcid.org/0000-0002-9768-9830
local.identifier.orcidhttps://orcid.org/0000-0002-5158-7783
local.identifier.orcidhttps://orcid.org/0000-0003-3818-029X
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE QUÍMICA
local.publisher.initialsUFMG
local.subject.cnpqCIENCIAS EXATAS E DA TERRA::QUIMICA
local.url.externahttps://onlinelibrary.wiley.com/doi/10.1155/2021/7003861

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