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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Sitagliptin-[d4] phosphate

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General Information
Catalog: BLP-004246
CAS: 1432063-88-1
Molecular Formula: C16H14D4F6N5O5P
Molecular Weight: 509.33
Chemical Structure
Sitagliptin-[d4] phosphate
Description Isotopic labelled Sitagliptin phosphate is a potent inhibitor of DPP4 in Caco-2 cell extracts.
Synonyms 7-[(3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine-d4 Phosphate; Januvia-d4; MK 0431-d4
IUPAC Name (3R)-3-amino-1-[5,5,6,6-tetradeuterio-3-(trifluoromethyl)-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid
Related CAS 654671-78-0 (unlabelled)
Canonical SMILES C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.OP(=O)(O)O
InChI InChI=1S/C16H15F6N5O.H3O4P/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4)/t9-;/m1./s1/i1D2,2D2;
InChI Key IQFYVLUXQXSJJN-GKIQQKSJSA-N
Melting Point 193-195°C
Purity >97%
Solubility Soluble in Methanol (Slightly, Heated), Water (Slightly)
Appearance White to Off-white Solid
Storage Store at-20°C
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