1350462-55-3
Chemical Structure
Grazoprevir hydrate
Synonym(s): MK-5172 hydrate
- CAS No.: 1350462-55-3
- Formula:C38H52N6O10S
- Molecular Weight:784.92
IUPAC Name: (33R,35S,91R,92R,5S)-5-(tert-butyl)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxamide hydrate
InChIKey: RXSARIJMSJWJLZ-CIAYNJNFSA-N
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
Biological Activity: 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].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
|
Grazoprevir hydrate | 99.99% | 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. Grazoprevir hydrate inhibits SARS-CoV-2 3CLpro activity. | ||||||||||||||||||||
|
loading...
/
|
|||||||||||||||||||||||
-
Similarity Score 0.99
HY-15298Grazoprevir -
Similarity Score 0.92
HY-15298AGrazoprevir potassium salt -
Similarity Score 0.92
HY-15298CGrazoprevir sodium salt -
Similarity Score 0.69
HY-108018MK 6325 -
Similarity Score 0.69
HY-19840Voxilaprevir -
Similarity Score 0.67
HY-14404MK-1220 -
Similarity Score 0.65
HY-19932MK-2748 -
Similarity Score 0.63
HY-17634RGlecaprevir (Standard) -
Similarity Score 0.58
HY-10243Vaniprevir -
Explore the MedChemAI to find more analogs
References
- [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. [Content Brief]
- [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. [Content Brief]
