Argatroban-d3

• CAT Number: R007459
• CAS Number: 1356847-56-7
• Molecular Formula: C23H36N6O5S
• Molecular Weight: 511.656
• Purity: ≥95%
• Synonyms: (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-(methyl-d3)-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic Acid; Argipidine-d3; MQPA-d3
• Storage: -20°C
• IUPAC Name: (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[3-(trideuteriomethyl)-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
• InChI: InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1/i2D3
• InChIKey: KXNPVXPOPUZYGB-HKEDOSAWSA-N
• SMILES: [2H]C([2H])([2H])C1CC2=C(C(=CC=C2)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CC[C@H](C[C@@H]3C(=O)O)C)NC1

Argatroban-d3 is a deuterated form of argatroban, a direct thrombin inhibitor used as an anticoagulant, particularly in patients with heparin-induced thrombocytopenia (HIT). In this compound, three hydrogen atoms are replaced with deuterium, enhancing its stability and allowing for precise tracking in pharmacokinetic and metabolic studies using mass spectrometry. Argatroban-d3 is crucial for research focused on the absorption, distribution, metabolism, and excretion (ADME) of argatroban, providing detailed insights into its mechanism of action and interaction with thrombin. This isotopically labeled compound is invaluable in the development and optimization of anticoagulant therapies, ensuring accurate and reliable data for scientific and clinical investigations.