Document Detail

Investigation of the Skin Sensitizing Properties of 5 Osmolytic Prodrugs in a Weight-of-Evidence Assessment, Employing In Silico, In Vivo, and Read Across Analyses.
MedLine Citation:
PMID:  22855551     Owner:  NLM     Status:  In-Data-Review    
The amino acid esters ethyl glycinate (EG), dl-α-tocopheryl-(mono-)betainate hydrochloride (TMB), dl-α-tocopheryl-(mono-)glycinate hydrochloride (TMG), dl-α-tocopheryl-(mono-)prolinate hydrochloride (TMP), and dl-α-tocopheryl-(mono-)sarcosinate hydrochloride (TMS) were previously shown to exert an osmoprotective function to human skin in vitro. Based on literature data, the parent compounds α-tocopherol (vitamin E) and the amino acids glycine, betaine (trimethylated glycine), proline, and sarcosine (N-methylated glycine) are not considered to be sensitizers. To investigate skin sensitizing properties of the esters, EG, TMG, and TMP were tested in the Local Lymph Node Assay (LLNA). Remaining esters were assessed by read across analysis considering structural similarities and mechanistic aspects. The LLNA results were consistent with in silico outcomes from ToxTree 2.5.0 indicative for protein binding; EG was negative; TMG and TMP were positive. Since TMB and TMS showed structural similarities to TMG and TMP and were also positive in ToxTree, it was concluded that both TMB and TMS can also be expected to have a skin sensitizing potential and therefore animal testing was waived.
Julia Scheel; Detlef Keller
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  International journal of toxicology     Volume:  31     ISSN:  1092-874X     ISO Abbreviation:  Int. J. Toxicol.     Publication Date:  2012 Aug 
Date Detail:
Created Date:  2012-08-02     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9708436     Medline TA:  Int J Toxicol     Country:  United States    
Other Details:
Languages:  eng     Pagination:  358-63     Citation Subset:  IM    
Department of Toxicology, Henkel AG & Co. KGaA, Duesseldorf, Germany Email:
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