Elbasvir (MK8742) is an NS5A inhibitor, preventing hepatitis C viral RNA replication and virion assembly. Median EC50 values range from 0.2 to 3600 pmol/L, based on genotype.

 

Brand: BCM

 

Target: HCV Protease

 

Signaling Pathways: Microbiology/Virology; Proteases/Proteasome

 

In Vitro: Elbasvir potently inhibits hepatitis C virus (HCV) non-structural protein 5A (NS5A) with an EC50 value of 2.2 pM in Huh7 human liver cancer cells expressing pH77S.3/GLuc2A, a cell-culture adapted HCV16 genotype 1a derivative and luciferase reporter, following a 48-hour exposure in vitro. NS5A is essential for HCV RNA synthesis and viral assembly, and elbasvir inhibits the assembly of new viral replicase complexes when used at a concentration of 50 pM. It exhibits potent inhibitory activity against a broad range of HCV genotypes with EC50 values of 0.0002-34 nM in Huh7 cells expressing replicons of HCV genotype 4 NS5A and EC50 values of less than 0.2 nM for replicons from all other tested genotypes except 2b. Formulations containing elbasvir have been used alone and in combination with NS3/4A protease inhibitors in the treatment of HCV.

 

pKa: 11.22±0.46(Predicted)

 

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

 

GHS: GHS02

 

Isomeric SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC  

 

InChIKey: BVAZQCUMNICBAQ-PZHYSIFUSA-N  

 

InChI: InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1

 

Attribute
[Chem Name]	methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
[Synonym]	Elbasvir; MK-8742
[CAS No.]	1370468-36-2
[MDL No.]	MFCD28124343
[Formula]	C49H55N9O7
[Molecular]	882.02
[Form]	Solid
[Storage]	Sealed in dry, 2-8°C

Goods Tag