For research use only. Not for therapeutic Use.
Mono-(2-ethylhexyl) phthalate-d4 is a deuterium labeled Mono-(2-ethylhexyl) phthalate (HY-W018392). Mono-(2-ethylhexyl) phthalate (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP). Mono-(2-ethylhexyl) phthalate can promote fatty acid synthesis in hepatocytes by regulating the expression of relevant genes and proteins, contributing to non-alcoholic fatty liver disease (NAFLD)[1][2].
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
| Catalog Number | R047806 |
| CAS Number | 1276197-22-8 |
| Synonyms | 2,3,4,5-tetradeuterio-6-(2-ethylhexoxycarbonyl)benzoic acid |
| Molecular Formula | C16H18D4O4 |
| Purity | ≥95% |
| InChI | InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/i6D,7D,9D,10D |
| InChIKey | DJDSLBVSSOQSLW-NECLWFIRSA-N |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O |
| Reference | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-246. [2]. Bai J, et al. Mono-2-ethylhexyl phthalate induces the expression of genes involved in fatty acid synthesis in HepG2 cells. Environ Toxicol Pharmacol. 2019 Jul;69:104-111. [3]. Tomita I, et al. Fetotoxic effects of mono-2-ethylhexyl phthalate (MEHP) in mice. Environ Health Perspect. 1986 Mar;65:249-54. |
