Dataset Information

Sensitization properties of acetophenone azine, a new skin sensitizer identified in textile.

ABSTRACT:

Background

Acetophenone azine (CAS no. 729-43-1) present in sports equipment (shoes, socks and shin pads) has been suspected to induce skin allergies. Twelve case reports of allergy in children and adults from Europe and North America were published between 2016 and 2021.

Objectives

The objective of this study was to confirm that acetophenone azine is indeed a skin sensitizer based on in vitro/ in vivo testings derived from the Adverse Outcome Pathway (AOP) built for skin sensitization by OECD in 2012.

Methods

Acetophenone azine was tested in vitro according to the human cell line activation test (h-CLAT) and the ARE-Nrf2 Luciferase Test (KeratinoSens) and in vivo using the Local Lymph Nodes Assay (LLNA).

Results

Both the h-CLAT and the KeratinoSens were positive whereas the LLNA performed at 5, 2.5 and 1% (wt/vol) of acetophenone azine, was negative.

Conclusion

Based on these results, acetophenone azine was considered as a skin sensitizer. This was recently confirmed by its classification under the CLP regulation.

SUBMITTER: Maniere I

PROVIDER: S-EPMC10092242 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature

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Publications

Sensitization properties of acetophenone azine, a new skin sensitizer identified in textile.

Manière Isabelle I Aubert Alizée A Dubois Céline C Solal Cécilia C Lepoittevin Jean-Pierre JP Rousselle Christophe C

Contact dermatitis 20221001 1

<h4>Background</h4>Acetophenone azine (CAS no. 729-43-1) present in sports equipment (shoes, socks and shin pads) has been suspected to induce skin allergies. Twelve case reports of allergy in children and adults from Europe and North America were published between 2016 and 2021.<h4>Objectives</h4>The objective of this study was to confirm that acetophenone azine is indeed a skin sensitizer based on in vitro/ in vivo testings derived from the Adverse Outcome Pathway (AOP) built for skin sensitiz ...[more]

PMID: 36074825

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Project description:BackgroundAdvanced structure-activity relationship (SAR) modeling can be used as an alternative tool for identification of skin sensitizers and in improvement of the medical diagnosis and more effective practical measures to reduce the causative chemical exposures. It can also circumvent ethical concern of using animals in toxicological tests, and reduce time and cost. Compounds with aniline or phenol moieties represent two large classes of frequently skin sensitizing chemicals but exhibiting very variable, and difficult to predict, potency. The mechanisms of action are not well-understood.MethodsA group of mechanistically hard-to-be-classified aniline and phenol chemicals were collected. An in silico model was established by statistical analysis of quantum descriptors for the determination of the relationship between their chemical structures and skin sensitization potential. The sensitization mechanisms were investigated based on the features of the established model. Then the model was utilized to analyze a subset of FDA approved drugs containing aniline and/or phenol groups for prediction of their skin sensitization potential.Results and discussionA linear discriminant model using the energy of the highest occupied molecular orbital (?HOMO) as the descriptor yielded high prediction accuracy. The contribution of ?HOMO as a major determinant may suggest that autoxidation or free radical binding could be involved. The model was further applied to predict allergic potential of a subset of FDA approved drugs containing aniline and/or phenol moiety. The predictions imply that similar mechanisms (autoxidation or free radical binding) may also play a role in the skin sensitization caused by these drugs.ConclusionsAn accurate and simple quantum mechanistic model has been developed to predict the skin sensitization potential of mechanistically hard-to-be-classified aniline and phenol chemicals. The model could be useful for the skin sensitization potential predictions of a subset of FDA approved drugs.

Dataset Information

Sensitization properties of acetophenone azine, a new skin sensitizer identified in textile.

Background

Objectives

Methods

Results

Conclusion

Publications

Sensitization properties of acetophenone azine, a new skin sensitizer identified in textile.

Similar Datasets

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