title: Skin-sensitization structure-activity relationships for aldehydes.
abstract: A selection of 17 aldehydes (13 sensitizing and 4 non-sensitizing), all of which possessed a benzene ring, were evaluated using structure-activity relationships (SARs). The sensitizing compounds were classified as strong, moderate or weak skin sensitizers on the basis of in vivo data. The aldehydes were grouped into 4 distinct subcategories of functionally related aldehydes that were termed aryl-substituted aliphatic, aryl, aryl with special features (that can undergo metabolism) and alpha,beta-unsaturated aldehydes. It was observed that a structure-activity relationship could be derived for a subset of aldehydes that could react via the same chemical mechanism. This further supports the view that applying knowledge on reaction mechanisms to develop SAR models can provide a more accurate means of investigating and predicting the sensitization potential of structurally and functionally related chemicals.
authors.affiliation: SEAC Toxicology Unit, Unilever Research Colworth, Sharnbrook, Bedford UK.
authors.forename: G
authors.initials: G
authors.lastname: Patlewicz
authors.forename: D A
authors.initials: DA
authors.lastname: Basketter
authors.forename: C K
authors.initials: CK
authors.lastname: Smith
authors.forename: S A
authors.initials: SA
authors.lastname: Hotchkiss
authors.forename: D W
authors.initials: DW
authors.lastname: Roberts
mesh_terms: D000447:Aldehydes / Q000009:adverse effects / Q000737:chemistry*; D000818:Animals; D017449:Dermatitis, Allergic Contact / Q000209:etiology; D013329:Structure-Activity Relationship
chemical_list: D000447:Aldehydes