-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- West Nile virus
- Antiviral intermediates
Bemnifosbuvir hemisulfate
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| Category | Hepatitis C Virus (HCV) |
| CAS | 2241337-84-6 |
| Description | Bemnifosbuvir is the precursor drug form of the antiviral nucleoside analogue AT-9010. It reduces the infectious virus yield in cells infected with Middle East respiratory syndrome coronavirus (MERS-CoV), severe acute respiratory syndrome CoV (SARS-CoV), SARS-CoV-2, human CoV 229E (HCoV-229E), and HCoV-OC43 (EC90s = 37, 0.47, 2.8, 1.2, and 0.5 µM, respectively). |
Product Information
| Synonyms | RG-6422; RO 7496998; AT-527; AT 527; AT527 |
| IUPAC Name | propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;sulfuric acid |
| Molecular Weight | 679.61 |
| Molecular Formula | C24H33FN7O7P.1/2H2O4S |
| Canonical SMILES | CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.OS(=O)(=O)O |
| InChI | InChI=1S/2C24H33FN7O7P.H2O4S/c2*1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32;1-5(2,3)4/h2*6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30);(H2,1,2,3,4)/t2*14-,16+,18+,22+,24+,40-;/m00./s1 |
| InChIKey | QIGYBLSWYRTXCA-NVSCJZCKSA-N |
| Melting Point | 272-276°C |
| Purity | 99.33% |
| Solubility | In Vitro: DMSO : 180 mg/mL(285.45 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 5 mg/mL (7.93 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 5 mg/mL (7.93 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 5 mg/mL (7.93 mM); Clear solution |
| Appearance | White to off-white (Solid) |
| Storage | 4°C, sealed storage, away from moisture * In solvent : -80°C, 6 months -20°C, 1 month (sealed storage, away from moisture) |
| Complexity | 1000 |
| Exact Mass | 1260.40000287 |
| In Vitro | Bemnifosbuvir has pan-genotypic antiviral activities that inhibits HCV genotype 1a (HCV GT1a), HCV GT1b, HCV GT2a, HCV GT3a, HCV GT4a, and HCV GT5a replication with EC50 values of 12.8 nM, 12.5 nM, 9.2 nM, 10.3 nM, 14.7 nM, and 28.5 nM, respectively. In normal human airway epithelial cells, the concentration of Bemnifosbuvir required to inhibit replication of SARS-CoV-2 by EC90 is 0.47 μM, very similar to its EC90 against HCoV-229E, HCoV-OC43 and SARS-CoV in Huh-7 cells. |
| In Vivo | When given orally to rats (500 mg/kg) and monkeys (30 mg/kg, 100 mg/kg or 300 mg/kg), Bemnifosbuvir preferentially delivers high levels of AT-9010 in the liver in vivo. |
| Target | EC50: 5-28 nM (HCV) EC90: 0.47 μM (SARS-CoV-2) |