Glecaprevir(ABT-493) is a hepatitis C virus (HCV) nonstructural (NS) protein 3/4A protease inhibitor that targets the the viral RNA replication. It displays IC50 values ranging from 3.5 to 11.3 nM for clinical isolates of HCV genotypes 1a, 1b, 2a, 2b, 3a, 4a, 5a, and 6a.

 

Brand: BCM

 

Target: SARS-CoV; HCV Protease

 

Signaling Pathways: Microbiology/Virology; Proteases/Proteasome

 

In Vitro: Glecaprevir (ABT-493) inhibited the enzymatic activity of purified NS3/4A proteases from HCV genotypes 1 to 6 in vitro (IC50: 3.5-11.3 nM) and the replication of stable HCV subgenomic replicons containing proteases from genotypes 1 to 6 (EC50: 0.21-4.6 nM). Glecaprevir had a median EC50 of 0.30 nM (range, 0.05 to 3.8 nM) for HCV replicons containing proteases from 40 samples from patients infected with HCV genotypes 1 to 5.

 

Melting Point: >186°C (dec.)

 

pKa: 4.46±0.40(Predicted)

 

Solubility: Soluble in DMSO; soluble in Ethanol. Insoluble in Water.

 

GHS: GHS07

 

Isomeric 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  

 

InChIKey: MLSQGNCUYAMAHD-ZSXAAYSXSA-N  

 

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

 

Attribute
[Chem Name]	(1R,14Z,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
[Synonym]	Glecaprevir; ABT-493
[CAS No.]	1365970-03-1
[MDL No.]	MFCD30533436
[Formula]	C38H46F4N6O9S
[Molecular]	838.87
[Form]	White to Off-White Solid Powder
[Storage]	Sealed in dry, 2-8°C

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