Products for Research Use Only

Glecaprevir

CAT: 0013-GTR19168617-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168617-02Size:5 mg
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Description
Glecaprevir
CAS Number
1365970-03-1
Product Name Alternative
ABT 493, ABT493, ABT-493, Glecaprevir, Hepatitis C virus, HCV, HCVProtease, HCV Protease, HCV NS3/4A protease, inhibit, Inhibitor, SARS-CoV, SARSCoV, SARS coronavirus
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.14% (May vary between batches)
Solubility
DMSO:130 mg/mL (154.97 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (4.77 mM)
Smiles
[H][C@@]12C[C@H] (N (C1) C (=O) [C@@H] (NC (=O) O[C@]1 ([H]) CCC[C@@]1 ([H]) OC\C=C\C (F) (F) c1nc3ccccc3nc1O2) C (C) (C) C) C (=O) N[C@@]1 (C[C@H]1C (F) F) C (=O) NS (=O) (=O) C1 (C) CC1
Molecular Formula
C38H46F4N6O9S
Molecular Weight
838.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Glecaprevir

Glecaprevir is a direct acting antiviral agent and Hepatitis C virus (HCV) NS3/4A protease inhibitor that targets the the viral RNA replication. In combination with [DB13878], glecaprevir is a useful therapy for patients who experienced therapeutic failure from other NS3/4A protease inhibitors. It demonstrates a high genetic barrier against resistance mutations of the virus. In cell cultures, the emergence of amino acid substitutions at NS3 resistance-associated positions A156 or D/Q168 in HCV genotype 1a, 2a or 3a replicons led to reduced susceptibility to glecaprevir. The combinations of amino acid substitutions at NS3 position Y65H and D/Q168 also results in greater reductions in glecaprevir susceptibility, and NS3 Q80R in genotype 3a patients also leads to glecaprevir resistance. Glecaprevir is available as an oral combination therapy with [DB13878] under the brand name Mavyret. This fixed-dose combination therapy was FDA-approved in August 2017 to treat adults with chronic hepatitis C virus (HCV) genotypes 1-6 without cirrhosis (liver disease) or with mild cirrhosis, including patients with moderate to severe kidney disease and those who are on dialysis. Mavyret is also indicated for HCV genotype 1-infected patients who have been previously treated with regimens either containing an NS5A inhibitor or an NS3/4A protease inhibitor, but not both. Hepatitis C viral infection often leads to decreased liver function and subsequent liver failure, causing a significantly negative impact on the patients' quality of life. The ultimate goal of the combination treatment is to achieve sustained virologic response (SVR) and cure the patients from the infection. In clinical trials, this combination therapy achieved SVR12 rate, or undetectable Hepatitis C for twelve or more weeks after the end of treatment, of ≥93% across genotypes 1a, 2a, 3a, 4, 5 and 6. As of June 2025, the FDA approved an expanded indication for Mavyret, making it the first and only direct-acting antiviral therapy approved for the treatment of both acute and chronic HCV in patients aged three years and older.

CAS Number1365970-03-1
PubChem CID66828839
IUPAC Name(1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide
Molecular FormulaC38H46F4N6O9S
Molecular Weight838.9
XLogP4.6
Topological Polar Surface Area204
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count58
Formal Charge0
Complexity1760
SMILES
CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C
InChI
InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1
InChIKey
MLSQGNCUYAMAHD-ITNVBOSISA-N
Chemical Structure
2D Structure
2D structure of Glecaprevir
CAS: 1365970-03-1
CID: 66828839
Formula: C38H46F4N6O9S
MW: 838.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight838.9
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass838.29831089
Monoisotopic Mass838.29831089
Topological Polar Surface Area204 Ų
Heavy Atom Count58
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes