Daclatasvir

Daclatasvir is a first generation direct-acting inhibitor of hepatitis C virus (HCV) non-structural protein 5A (NS5A, Kds = 8 and 210 nM for the NS5A33-202 and NS5A26-202 residues of HCV genotype 1b, respectively). It potently inhibits HCV replication in multiple HCV replicon genotypes (EC50s = 9-146 pM) with the highest potency in genotypes 1b and 4a (EC50s = 9 and 12 pM, respectively). Daclatasvir disrupts the subcellular localization of NS5A in Huh7.5 cells and inhibits viral RNA synthesis and virion assembly and secretion when used at concentration of 1 nM in HCV-infected Huh7 cells. Daclatasvir also inhibits organic anion transport polypeptides 1B1 (OAT1B1) and OAT1B3 (IC50s = 1.5 and 3.27 µM, respectively). Formulations containing daclatasvir have been used alone and in combination with NS3/4A and NS5B inhibitors in the treatment of HCV.Formal Name: N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-carbamic acid, C,C'-dimethyl ester. CAS Number: 1009119-64-5. Synonyms: BMS 790052. Molecular Formula: C40H50N8O6. Formula Weight: 738.9. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Slightly Soluble, Methanol: Slightly Soluble. SMILES: O=C([C@H](C(C)C)NC(OC)=O)N1CCC[C@H]1C2=NC=C(C(C=C3)=CC=C3C4=CC=C(C5=CN=C([C@@H]6CCCN6C([C@@H](NC(OC)=O)C(C)C)=O)N5)C=C4)N2. InChi Code: InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1. InChi Key: FKRSSPOQAMALKA-CUPIEXAXSA-N.