Grazoprevir hydrate

• Description:

  Grazoprevir hydrate (MK-5172 hydrate) is a selective inhibitor of Hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants, with Kis of 0.01 nM (gt1b), 0.01 nM (gt1a), 0.08 nM (gt2a), 0.15 nM (gt2b), 0.90 nM (gt3a), respectively[1][2]. Grazoprevir hydrate inhibits SARS-CoV-2 3CLpro activity[3].

• Product Name Alternative:

  MK-5172 (hydrate)

• UNSPSC:

  12352005

• Hazard Statement:

  H373

• Target:

  HCV; HCV Protease; SARS-CoV

• Type:

  Reference compound

• Related Pathways:

  Anti-infection; Metabolic Enzyme/Protease

• Applications:

  COVID-19-anti-virus

• Field of Research:

  Infection

• Assay Protocol:

  https://www.medchemexpress.com/MK-5172-hydrate.html

• Purity:

  99.99

• Solubility:

  DMSO : 50 mg/mL (ultrasonic)

• Smiles:

  COC1=CC2=C(N=C(CCCCC[C@@H]3C[C@H]3OC4=O)C(O[C@H]5CN(C([C@H](C(C)(C)C)N4)=O)[C@H](C(N[C@@]([C@@H]6C=C)(C6)C(NS(C7CC7)(=O)=O)=O)=O)C5)=N2)C=C1.O

• Molecular Formula:

  C38H52N6O10S

• Molecular Weight:

  784.92

• Precautions:

  H373

• References & Citations:

  [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.|[3]Qi Sun, et al. Bardoxolone and bardoxolone methyl, two Nrf2 activators in clinical trials, inhibit SARS-CoV-2 replication and its 3C-like protease. Signal Transduct Target Ther. 2021 May 29;6 (1) :212.

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C, 3 years; 4°C, 2 years (Powder)

• Scientific Category:

  Reference compound1

• Clinical Information:

  Launched

• CAS Number:

  [1350462-55-3]