Argatroban-d3 (hydrochloride)

Argatroban-d3 is intended for use as an internal standard for the quantification of argatroban (Cay-19639) by GC- or LC-MS. Argatroban is a reversible inhibitor of thrombin (IC50s = 0.01 and 0.09 µM for the free and clot-bound forms, respectively). It is selective for thrombin over factor Xa, trypsin, plasmin, and tissue plasminogen activator (Kis = 0.0045, 53, 0.19, 25.7, and 87.7 µM, respectively). It inhibits thrombin-induced platelet aggregation in washed isolated guinea pig platelets with an IC50 value of 0.077 µM. Argatroban (3.2 mg/kg, s.c.) decreases thrombus formation in a guinea pig model of iron chloride-induced arterial thrombosis. Formulations containing argatroban have been used in the prevention or treatment of thrombosis in patients with heparin-induced thrombocytopenia.Formal Name: (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, monohydrochloride. CAS Number: 1356847-56-7. Molecular Formula: C23H33D3N6O5S . HCl. Formula Weight: 548.1. Purity: >99% deuterated forms (d1-d3). Formulation: (Request formulation change), A solid. Solubility: DMF: soluble, DMSO: soluble, Methanol: soluble. SMILES: O=S(C1=CC=CC2=C1NCC(C([2H])([2H])[2H])C2)(N[C@@H](CCCNC(N)=N)C(N3[C@@H](C(O)=O)C[C@H](C)CC3)=O)=O. InChi Code: 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. InChi Key: KXNPVXPOPUZYGB-HKEDOSAWSA-N.