Lee, Isabelle;Na, Mihwa;O’Brien, Devin;Parakhia, Rahul;Alepee, Nathalie;Westerink, Walter;Eurlings, Irene;Api, Anne Marie published 《Assessment of the skin sensitization potential of fragrance ingredients using the U-SENS assay》 in 2022. The article was appeared in 《Toxicology In Vitro》. They have made some progress in their research.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:
The U-SENS assay was developed to address the third key event of the skin sensitization adverse outcome pathway (AOP) and is described in OECD test guideline 442E, Annex II. A dataset of 68 fragrance ingredients comprised of 7 non-sensitizers and 61 sensitizers was tested in the U-SENS assay. The potential for fragrance ingredients to activate dendritic cells, measured by U-SENS, was compared to the sensitization potential determined by weight of evidence (WoE) from historical data. Of the non-sensitizers, 4 induced CD86 cell surface marker ≥1.5-fold while 3 did not. Of the sensitizers, 50 were predicted to be pos. in U-SENS, while the remaining 11 were neg. Pos. and neg. predictive values (PPV and NPV) of U-SENS were 93% and 21%, resp. No specific chem. property evaluated could account for misclassified ingredients. Assessment of parent and metabolite protein binding alerts in silico suggests that parent chem. metabolism may play a role in CD86 activation in U-SENS. Combining the U-SENS assay in a “2 out of 3” defined approach with the direct peptide reactivity assay (DPRA) and KeratinoSens predicted sensitization hazard with PPV and NPV of 97% and 24%, resp. Combining complementary in silico and in vitro methods to the U-SENS assay should be integrated to define the hazard classification of fragrance ingredients, since a single NAM cannot replace animal-based methods. The experimental procedure involved many compounds, such as Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .
Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate
Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics