SML3812

Asunaprevir

≥98% (HPLC)

• Synonym(s): Asunaprevir, BMS650032, 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamide, ASV, BMS 650032, BMS-650032
• Empirical Formula (Hill Notation): C₃₅H₄₆ClN₅O₉S
• CAS Number: 630420-16-5
• Molecular Weight: 748.29
• UNSPSC Code: 51111800
• NACRES: NA.77
• MDL number: MFCD27987900
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C
• InChI: 1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H
• InChI key: XRWSZZJLZRKHHD-QGQNBIQGSA-N

Description

Biochem/physiol Actions

Asunaprevir (ASV; BMS-650032) is an orally active, potent and selective hepatitis C virus (HCV) NS3 protease inhibitor (HCV NS3/4A IC50 = 0.7 nM; GBV-B NS3/4A IC50 = 21 µM, IC50 >5 µM using 11 human serine and cysteine proteases) that targets the NS3/4A protease complex with high affinity (Ki = 0.4 and 0.24 nM, using genotypes 1a (H77) and 1b (J4L6S), respectively). ASV inhibits HCV replication in cultures (IC50 = 1-4 nM/replicon genotypes 1 & 4, 67 nM-1.162 µM/replicon genotypes 2 & 3, >12 μM against a panel of other RNA viruses).

Safety Information

• pictograms: GHS08
• signalword: Warning
• hcodes: H373
• pcodes: P260 - P314 - P501
• Hazard Classifications: STOT RE 2
• target_organs: Liver
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable