Skin-sensitization structure-activity relationships for aldehydes.
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.
Patlewicz
G
G
SEAC Toxicology Unit, Unilever Research Colworth, Sharnbrook, Bedford UK.
Basketter
D A
DA
Smith
C K
CK
Hotchkiss
S A
SA
Roberts
D W
DW
D000447:Aldehydes / Q000009:adverse effects / Q000737:chemistry*; D000818:Animals; D017449:Dermatitis, Allergic Contact / Q000209:etiology; D013329:Structure-Activity Relationship
D000447:Aldehydes