Takenouchi, Osamu published the artcilePredictive performance of the human Cell Line Activation Test (h-CLAT) for lipophilic chemicals with high octanol-water partition coefficients, Name: 5-Methyl-2-phenylhex-2-enal, the main research area is lipophilic chem skin sensitization hCLAT toxicity allergic contact dermatitis; octanol water partition coefficient.
To meet the urgent need for a reliable alternative test for predicting skin sensitizing potential of many chems., we have developed a cell-based in vitro test, human Cell Line Activation Test (h-CLAT). However, the predictive performance for lipophilic chems. in the h-CLAT still remains relatively unknown. Moreover, it’s suggested that low water solubility of chems. might induce false neg. outcomes. Thus, in this study, we tested relatively low water soluble 37 chems. with log Kow values above and below 3.5 in the h-CLAT. The small-scale assessment resulted in nine false neg. outcomes for chems. with log Kow values greater than 3.5. We then created a dataset of 143 chems. by combining the existing dataset of 106 chems. and examined the predictive performance of the h-CLAT for chems. with a log Kow of less than 3.5; a total of 112 chems. from the 143 chems. in the dataset. The sensitivity and overall accuracy for the 143 chems. were 83% and 80%, resp. In contrast, sensitivity and overall accuracy for the 112 chems. with log Kow values below 3.5 improved to 94% and 88%, resp. These data suggested that the h-CLAT could successfully detect sensitizers with log Kow values up to 3.5. When chems. with log Kow values greater than 3.5 that were deemed pos. by h-CLAT were included with the 112 chems., the sensitivity and accuracy in terms of the resulting applicable 128 chems. out of the 143 chems. became 95% and 88%, resp. The use of log Kow values gave the h-CLAT a higher predictive performance. Our results demonstrated that the h-CLAT could predict sensitizing potential of various chems., which contain lipophilic chems. using a large-scale chem. dataset.
Journal of Toxicological Sciences published new progress about Allergic contact dermatitis. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Name: 5-Methyl-2-phenylhex-2-enal.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem