MK-5172 sodium salt

• CAT Number: I001638
• CAS Number: 1425038-27-2
• Molecular Formula: C38H50N6NaO9S+
• Molecular Weight: 789.89
• Purity: ≥95%
• Target: Metabolic Enzyme/Protease
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IC50: 7.4 nM and 7 nM for genotype 1b and 1a respectively, in replicon system [1]
• IUPAC Name: sodium;[(1R,2S)-1-[[(1R,18R,20R,24S,27S)-24-tert-butyl-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carbonyl]amino]-2-ethenylcyclopropanecarbonyl]-cyclopropylsulfonylazanide
• InChI: InChI=1S/C38H50N6O9S.Na/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H3,41,42,43,45,47,48);/q;+1/p-1/t21-,22-,24-,29+,30-,31-,38-;/m1./s1
• InChIKey: HWKZBIVJZNPHGU-CIAYNJNFSA-M
• SMILES: CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)[N-]S(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1.[Na+]

MK-5172 sodium salt（Cat No.:I001638）is a potent and selective NS3/4A protease inhibitor developed for the treatment of hepatitis C virus (HCV) infections. By targeting the viral protease essential for HCV replication, it disrupts the viral life cycle, demonstrating strong antiviral activity across multiple HCV genotypes. With favorable pharmacokinetics and a high barrier to resistance, MK-5172 sodium salt has been extensively studied in combination therapies to enhance efficacy and reduce treatment durations. Its role in advancing HCV research makes it a valuable tool for understanding and combating this global health challenge.

Reference

[1]. Steven Harper , John A. McCauley , Michael T. Discovery of MK-5172, a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor. ACS Med. Chem. Lett., 2012, 3 (4), pp 332-336
[2]. Summa V, Ludmerer SW, McCauley JA, MK-5172, a selective inhibitor of hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants. Antimicrob Agents Chemother. 2012 Aug;56(8):4161-7.