Sitagliptin-d4 (MK-0431-d4) phosphate is the deuterium labeled Sitagliptin phosphate. Sitagliptin phosphate (MK-0431 phosphate) is a potent inhibitor of DPP4 with an IC50 of 19 nM in Caco-2 cell extracts.

Product information

CAS Number: 1432063-88-1

Molecular Weight: 508.33

Formula: C16H17F6N5O5P

Chemical Name: (3R)-3-amino-1-[3-(trifluoromethyl)(5,5,6,6-²H₄)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one phosphoperoxol hydrogen

Smiles: [H].[2H]C1([2H])N(CC2=NN=C(N2C1([2H])[2H])C(F)(F)F)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F.OOP(=O)=O

InChiKey: CUFRPSLDGPIQBE-JBNLRCFGSA-N

InChi: InChI=1S/C16H15F6N5O.HO4P.H/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;1-4-5(2)3;/h4,6,9H,1-3,5,7,23H2;1H;/t9-;;/m1../s1/i1D2,2D2;;

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

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.

Products are for research use only. Not for human use.