2-ethyl-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics in vitro / ex vivo

Type of information:

experimental study planned

Justification for type of information:

Not much information is available on toxicokinetics of MPA and its esters (Mono- and Poly-alcohols). For oral in vivo studies with administration via gavage, the stomach is the point of first contact of the substance. The acidity of gastric fluid catalyse esterhydrolysis, as well as esterfication. Degree of esterhydrolysis and/or esterfication of the substances will have an impact on their further distribution, metabolism and toxic effects. To gain more information on transformation of MPA and its esters, in vitro simulated gastric acid studies are planned in Q2 2022. The results of these studies will be used to reevaluate and strengthen the reas-across hypothesis selected for the category approach.

Materials and methods

Test material

Test material information

Constituent 1

Reference substance name:

2-ethyl-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]

EC Number:

251-336-1

EC Name:

2-ethyl-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]

Cas Number:

33007-83-9

Molecular formula:

C15H26O6S3

IUPAC Name:

2,2-bis({[(3-sulfanylpropanoyl)oxy]methyl})butyl 3-sulfanylpropanoate