MK-5172 hydrate

• CAT Number: I001344
• CAS Number: 1350462-55-3
• Molecular Formula: C38H52N6O10S
• Molecular Weight: 784.92
• 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: (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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-carboxamide;hydrate
• InChI: InChI=1S/C38H50N6O9S.H2O/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,(H,41,48)(H,42,45)(H,43,47);1H2/t21-,22-,24-,29+,30-,31-,38-;/m1./s1
• InChIKey: RXSARIJMSJWJLZ-CIAYNJNFSA-N
• 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)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1.O

MK-5172 hydrate（Cat No.:I001344）is a potent NS3/4A protease inhibitor developed for the treatment of hepatitis C virus (HCV) infections. It blocks the viral protease essential for processing and replicating the HCV polyprotein, effectively halting viral replication. MK-5172 hydrate demonstrates broad-spectrum activity against multiple HCV genotypes, including those resistant to earlier treatments. Its favorable pharmacokinetic profile and high barrier to resistance make it a valuable component in combination antiviral therapies. MK-5172 hydrate plays a critical role in advancing research on direct-acting antivirals and optimizing treatment regimens for chronic HCV infections.

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.