725726-11-4

Basic information

• Product Name: 2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-4-[(S)-2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-3-(2,2,3,3,4,4,4-heptafluoro-butyryloxy)-3-oxo-propyl]-phenyl ester
• Synonyms: 2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-4-[(S)-2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-3-(2,2,3,3,4,4,4-heptafluoro-butyryloxy)-3-oxo-propyl]-phenyl ester
• CAS NO: 725726-11-4
• Molecular Weight: 980.303
• Mol File: 725726-11-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-4-[(S)-2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-3-(2,2,3,3,4,4,4-heptafluoro-butyryloxy)-3-oxo-propyl]-phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-4-[(S)-2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-3-(2,2,3,3,4,4,4-heptafluoro-butyryloxy)-3-oxo-propyl]-phenyl ester(725726-11-4)
• EPA Substance Registry System: 2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-4-[(S)-2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-3-(2,2,3,3,4,4,4-heptafluoro-butyryloxy)-3-oxo-propyl]-phenyl ester(725726-11-4)

Safety Data

• Hazardous Substances Data: 725726-11-4(Hazardous Substances Data)

Upstream product

• 300-34-5 3-amino-L-tyrosine 
• 336-59-4 heptafluorobutyric anhydride 

Relevant articles and documents

A derivatization assay using gaschromatography/negative chemical ionization tandem mass spectrometry to quantify 3-nitrotyrosine in human plasma

Endogenous free or protein-associated 3-nitrotyrosine (3-NT) has been proposed as a biomarker of in vivo oxidative damage caused by nitrating agents. Isotopic dilution assay gaschromatographic/mass spectrometric (GC/MS) techniques have been employed to measure endogenous 3-NT levels. However, the quantitative normal plasma values reported so far are inconsistent. The results vary between the assays; they may have been influenced by in vitro artifactual nitration of tyrosine to 3-NT. In this study, a simple and artifact-free derivatization method for quantifying the endogenous 3-NT content of biological samples by GC/negative chemical ionization MS/MS is presented. The method is based on reduction of the nitro group of the molecule by dithionite, heptafluorobutyric acylation and subsequent methyl derivatization, di-O-methyldi-N-heptafluorobutyryl being the major derivative. The results showed excellent GC and MS properties, such as low background and a favorable fragmentation pattern. Endogenous 3-NT was unequivocally quantified using collision-induced dissociation in the selected reaction monitoring mode, whereas co-elution of unknown compounds interfered in the selected-ion monitoring mode. We found that tyrosine was nitrated in the presence of nitrate anions and heptafluorobutyric anhydride, but the product appeared as a di-O-methylmono-N-heptafluorobutyryl derivative. Therefore, artifactually formed 3-NT did not contribute to the measured endogenous 3-NT level owing to its different derivative structure. The method was applied to determine endogenous 3-NT in human plasma and plasma proteins. A detection limit of 0.03 nm for 13C6-labeled 3-NT in plasma samples was established and the response was linear over a concentration range of 0-50 nM (R2 > 0.999). The endogenous free 3-NT level (mean ± SD) in ultrafiltered plasma samples from 12 healthy adults was 0.74 ± 0.30 nM. The mean concentration of 3-NT in their plasma total proteins was 0.60 ± 0.40 pmol mg-1. Hence, the described method is selective, eliminates the problem of artifactual nitration and is feasible for the quantification of free and protein-associated 3-NT in biological samples such as plasma. Copyright