Cat. No.: HY-15298B

Grazoprevir hydrate

(Synonyms: MK-5172 hydrate)

29 Cited Publications

Customer Review

Based on 29 publication(s) in Google Scholar

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 K_is 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 3CL^pro activity.

For research use only. We do not sell to patients.

Purity: 99.99%
CAS No.: 1350462-55-3
Formula: C₃₈H₅₂N₆O₁₀S
Molecular Weight:784.92

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

Grazoprevir hydrate Chemical Structure

CAS No.: 1350462-55-3

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Publications (29)
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

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 K_is 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 3CL^pro activity^[3].

IC₅₀ & Target

Ki: 0.01±<0.01 nM (gt1b), 0.01±0.01 nM (gt1a), 0.08±0.02 nM (gt2a), 0.15±0.06 nM (gt2b), 0.90±0.2 nM (gt3a)^[1]

In Vitro

In biochemical assays, Grazoprevir (MK-5172) is effective against a panel of major genotypes and variants engineered with common resistant mutations, with K_i of 0.01±<0.01 nM (gt1b), 0.01±0.01 nM (gt1a), 0.08±0.02 nM (gt2a), 0.15±0.06 nM (gt2b), 0.90±0.2 nM (gt3a), 0.07±0.01 nM (gt1b^R155K), 0.14±0.03 nM (gt1b^D168V), 0.30±0.04 nM (gt1b^D168Y), 5.3±0.9 nM (gt1b^A156T), and 12±2 nM (gt1b^A156V), respectively. In the replicon assay, Grazoprevir demonstrates subnanomolar to low-nanomolar EC₅₀s against genotypes 1a, 1b, and 2a, with EC₅₀s of 0.5±0.1 nM, 2±1 nM, and 2±1 nM for gt1b^con1, gt1a, and gt2a, respectively. Grazoprevir is potent against a panel of HCV replication mutants NS5A (Y93H) (EC₅₀=0.7±0.3 nM), NS5B nucleosides (S282T) (EC₅₀=0.3±0.1 nM), and NS5B (C316Y) (EC₅₀=0.4±0.2)^[1]. Grazoprevir (MK-5172) maintains the excellent potency against the gt 3a enzyme as well as a broad panel of mutant enzymes, has excellent potency in the replicon system [gt1b IC₅₀(50% NHS)=7.4 nM; gt1a IC₅₀(40% NHS)=7 nM], and shows excellent rat liver exposure^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Grazoprevir (MK-5172) demonstrates efficacy in vivo against chronic-HCV-infected chimpanzees^[1]. When dosed to dogs, Grazoprevir (MK-5172) shows low clearance of 5 mL/min/kg and a 3 h half-life after iv dosing and has good plasma exposure (AUC=0.4 μM h) after a 1 mg/kg oral dose. Dog liver biopsy studies showed that the liver concentration of Grazoprevir after the 1 mg/kg oral dose is 1.4 μM at the 24 h time point. Similar to its behavior in rats, Grazoprevir demonstrates effective partitioning into liver tissue and maintains high liver concentration, relative to potency, 24 h after oral dosing in dogs^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS No. 1350462-55-3
Appearance Solid
Molecular Weight 784.92
Formula C₃₈H₅₂N₆O₁₀S
Color White to off-white
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
Synonyms

MK-5172 hydrate
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Publications (29)

All ELISACell Proliferation/Viability AssayIn Vivo ImagingIn Vivo Efficacy Study

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Journal Impact Factor

Signal Transduct Target Ther

Bardoxolone and bardoxolone methyl, two Nrf2 activators in clinical trials, inhibit SARS-CoV-2 replication and its 3C-like protease. [Abstract]

2021 May 29;6(1):212. PMID: 34052830
Nature

Ultra-high-throughput mapping of genetic design space. [Abstract]

2026 Feb;650(8103):1035-1044. PMID: 41535463
Cancer Cell

In vivo models of subclonal oncogenesis and dependency in hematopoietic malignancy. [Abstract]

2024 Nov 11;42(11):1955-1969.e7. PMID: 39532065
Cancer Cell

High-performance multiplex drug-gated CAR circuits. [Abstract]

2022 Nov 14;40(11):1294-1305.e4. PMID: 36084652

Grazoprevir hydrate purchased from MedChemExpress. Usage Cited in: Cancer Cell. 2022 Nov 14;40(11):1294-1305.e4. [Abstract]

Primary T cell lines were treated with or without Grazoprevir (all in the presence of target cells), and cytokine levels quantified.

Grazoprevir hydrate purchased from MedChemExpress. Usage Cited in: Cancer Cell. 2022 Nov 14;40(11):1294-1305.e4. [Abstract]

Cytotoxicity response of OFF VIPER CAR T cells to Grazoprevir being added, washed out, and re-introduced after two days.

Grazoprevir hydrate purchased from MedChemExpress. Usage Cited in: Cancer Cell. 2022 Nov 14;40(11):1294-1305.e4. [Abstract]

Grazoprevir dose-response profile of various cells, as measured in cytokine levels and cell killing.

Grazoprevir hydrate purchased from MedChemExpress. Usage Cited in: Cancer Cell. 2022 Nov 14;40(11):1294-1305.e4. [Abstract]

IVIS imaging of groups treated with (1) no T cells, (2) non-transduced T cell (NT-WT), (3) ON VIPER CAR T cells, (4) ON VIPER CAR T cells with Grazoprevir (5) OFF VIPER CAR T cells, (6) OFF VIPER CAR T cells with Grazoprevir, or (7) Traditional CAR T cells by day 21.

Grazoprevir hydrate purchased from MedChemExpress. Usage Cited in: Cancer Cell. 2022 Nov 14;40(11):1294-1305.e4. [Abstract]

Illustration of the dual-tumor model generated by systemically growing Nalm6 cells via i.v. and regional growth of MSTO-211H cells via s.c (left). Timeline for the in vivo experiment (right). Inducers (Grazoprevir or POM) were injected daily through i.p.
Nat Biotechnol

Multi-input chemical control of protein dimerization for programming graded cellular responses. [Abstract]

2019 Oct;37(10):1209-1216. PMID: 31501561
Nat Methods

Chemogenetic control of gene expression and cell signaling with antiviral drugs. [Abstract]

2018 Jul;15(7):519-522. PMID: 29967495
Nat Commun

Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. [Abstract]

2020 Sep 4;11(1):4417. PMID: 32887884
Cancer Immunol Res

CRASH-IT Switch Enables Reversible and Dose-Dependent Control of TCR and CAR T-cell Function. [Abstract]

2021 Sep;9(9):999-1007. PMID: 34193461
Pharmaceuticals (Basel)

Evaluation of the Potency of Anti-HIV and Anti-HCV Drugs to Inhibit P-Glycoprotein Mediated Efflux of Digoxin in Caco-2 Cell Line and Human Precision-Cut Intestinal Slices. [Abstract]

2022 Feb 18;15(2):242. PMID: 35215354
J Gastroenterol

Combinations of two drugs among NS3/4A inhibitors, NS5B inhibitors and non-selective antiviral agents are effective for hepatitis C virus with NS5A-P32 deletion in humanized-liver mice. [Abstract]

2019 May;54(5):449-458. PMID: 30684016
Sci Rep

Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. [Abstract]

2022 Jul 16;12(1):12197. PMID: 35842458
Sci Rep

Impact of novel NS5A resistance-associated substitutions of hepatitis C virus detected in treatment-experienced patients. [Abstract]

2019 Apr 5;9(1):5722. PMID: 30952914
Antiviral Res

Identification of a novel replication-competent hepatitis C virus variant that confers the sofosbuvir resistance. [Abstract]

2022 Jan:197:105224. PMID: 34864126
Antiviral Res

Construction and characterization of Genotype-3 hepatitis C virus replicon revealed critical genotype-3-specific polymorphism for drug resistance and viral fitness. [Abstract]

2019 Nov;171:104612. PMID: 31542377
Antiviral Res

A profiling study of a newly developed HCVcc strain PR63cc's sensitivity to direct-acting antivirals. [Abstract]

2017 Mar;139:18-24. PMID: 28025084
Development

Small molecule- and cell contact-inducible systems for controlling expression and differentiation in mouse embryonic stem cells. [Abstract]

2025 May 16:dev.204505. PMID: 40377146
J Pharm Biomed Anal

Simultaneous determination of elbasvir and grazoprevir in fixed-dose combination and mass spectral characterization of each degradation product by UHPLC-ESI-QTOF-MS/MS. [Abstract]

2020 Jan 30;178:112964. PMID: 31711865
J Chromatogr B Analyt Technol Biomed Life Sci

Quantification of second generation direct-acting antivirals daclatasvir, elbasvir, grazoprevir, ledipasvir, simeprevir, sofosbuvir and velpatasvir in human plasma by UPLC-MS/MS. [Abstract]

2019 Mar 15:1110-1111:15-24. PMID: 30776611
bioRxiv

High-resolution profiling reveals coupled transcriptional and translational regulation of transgenes. [Abstract]

2024 Dec 3:2024.11.26.625483. PMID: 39651241
Patent

US12065501.
University of Glasgow

2024 Mar.
bioRxiv

2024 Mar 12.
Research Square Preprint

2024 Jan 23.
bioRxiv

Turn-On Protein Switches for Controlling Actin Binding in Cells. [Abstract]

2023 Oct 26:2023.10.26.561921. PMID: 37961502
bioRxiv

Controlled protein activities with viral proteases, antiviral peptides, and antiviral drugs. [Abstract]

2023 Feb 27:2023.02.27.530290. PMID: 36909459
Patent

US20220025003A1.
Elife

Acute disruption of the synaptic vesicle membrane protein synaptotagmin 1 using knockoff in mouse hippocampal neurons. [Abstract]

2020 Jun 9:9:e56469. PMID: 32515733
Patent

US20190010245A1.
Patent

US20180346589A1.

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (63.70 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

1.2740 mL

6.3701 mL

12.7402 mL

5 mM

0.2548 mL

1.2740 mL

2.5480 mL

10 mM

0.1274 mL

0.6370 mL

1.2740 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

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In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.5 mg/mL (3.19 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (3.19 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (284 KB)
SDS (418 KB)
- English - EN (418 KB)
- Français - FR (418 KB)
- Deutsch - DE (418 KB)
- Norwegian - NO (418 KB)
- Español - ES (418 KB)
- Swedish - SV (418 KB)
- Italian - IT (418 KB)
- Korean - KR (418 KB)
- Portuguese - PT (418 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

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]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.2740 mL	6.3701 mL	12.7402 mL	31.8504 mL
	5 mM	0.2548 mL	1.2740 mL	2.5480 mL	6.3701 mL
	10 mM	0.1274 mL	0.6370 mL	1.2740 mL	3.1850 mL
	15 mM	0.0849 mL	0.4247 mL	0.8493 mL	2.1234 mL
	20 mM	0.0637 mL	0.3185 mL	0.6370 mL	1.5925 mL
	25 mM	0.0510 mL	0.2548 mL	0.5096 mL	1.2740 mL
	30 mM	0.0425 mL	0.2123 mL	0.4247 mL	1.0617 mL
	40 mM	0.0319 mL	0.1593 mL	0.3185 mL	0.7963 mL
	50 mM	0.0255 mL	0.1274 mL	0.2548 mL	0.6370 mL
	60 mM	0.0212 mL	0.1062 mL	0.2123 mL	0.5308 mL

Keywords

Grazoprevir hydrate

29 Cited Publications

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Grazoprevir hydrate

Anti-Infection Compound Library

Metabolism/Protease Compound Library

FDA-Approved Drug Library

Antiviral Compound Library

Drug Repurposing Compound Library

Macrocyclic Compound Library

Orally Active Compound Library

FDA Approved & Pharmacopeial Drug Library

Anti-Hepatitis C Virus Compound Library

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Protease Inhibitor Library

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Anti-Drug-Resistant Compound Library

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High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) Grazoprevir hydrate

Biological Activity

Chemical Information

Publications (29)

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

Grazoprevir hydrate

Anti-Infection Compound Library

Metabolism/Protease Compound Library

FDA-Approved Drug Library

Antiviral Compound Library

Drug Repurposing Compound Library

Macrocyclic Compound Library

Orally Active Compound Library

FDA Approved & Pharmacopeial Drug Library

Anti-Hepatitis C Virus Compound Library

Pediatric Drug Library

EMA-Approved Drug Library

Protease Inhibitor Library

Highly Selective Inhibitors Library

Anti-Drug-Resistant Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

FDA-Approved Drug Library Plus

FDA-Approved Drug Library Mini

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) Grazoprevir hydrate

Biological Activity

Chemical Information

Publications (29)

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

Grazoprevir hydrate Related Classifications

HY-15298B Related Classifications