-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
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- West Nile virus
- Antiviral intermediates
INX 08189
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| Category | Hepatitis C Virus (HCV) |
| CAS | 1234490-83-5 |
| Description | BMS-986094 (INX-08189) is a potent inhibitor of hepatitis C virus (HCV) replication, with an EC50 of 35 nM at 24 h in Huh-7 cells. BMS-986094 is a phosphoramidate prodrug of 6-O-methyl-2'-C-methyl guanosine. BMS-986094 can be used for the research of chronic HCV infection. |
Product Information
| Synonyms | 2,2-dimethylpropyl(2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate; INX-08189; 1234490-83-5; L-Alanine,N-(2'-C-methyl-6-O-methyl-P-1-naphthalenyl-5'-guanylyl)-,2,2-dimethylpropylester; UNII-62F4AD749Y; CHEMBL1209734 |
| IUPAC Name | 2,2-dimethylpropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate |
| Molecular Weight | 658.64 |
| Molecular Formula | C30H39N6O9P |
| Canonical SMILES | CC(C(=O)OCC(C)(C)C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54 |
| InChI | InChI=1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-13-9-11-18-10-7-8-12-19(18)20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,46?/m0/s1 |
| InChIKey | YFXGICNMLCGLHJ-RSKRLRQZSA-N |
| Purity | 95% |
| Solubility | In Vitro: DMSO : 250 mg/mL(379.57 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.08 mg/mL (3.16 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (3.16 mM); Clear solution |
| Appearance | White to off-white (Solid) |
| Storage | Powder: -20°C 3 years; 4°C 2 years. In solvent: -80°C 6 months; -20°C 1 months |
| Complexity | 1100 |
| Exact Mass | 658.25161384 |
| In Vitro | BMS-986094 (INX-08189) is a highly effective HCV replication inhibitor with 10 nm for 1b genotype ec50, 12 nm for type 1a, and 0.9 nm for type 2a after 72 hours of exposure. Cultured Huh-7 cells produce a concentration of 7.01 μM at a concentration of 50% cytotoxicity (CC50). BMS-986094(5-80nm;14 days) reduces luciferase activity in genotype 1b replicator cells in a concentration-dependent manner. BMS-986094(20μM; 3d) Reduce the relative copy number of the mitochondria of CEM cells by 11%. |
| In Vivo | BMS-986094(3-300 mg/kg; p.o.) is converted to 2'-C-Me-GTP after oral administration, and 2'-C-MeG in plasma is proportional to the production of 2'-C-MeGTP in the liver. BMS-986094(25mg/kg; p.o.) is an extract that the liver effectively extracts from the portal circulation after oral administration of crab monkeys. |
| PSA | 212.94000 |
| Target | EC50: 35 nM (HCV) |
| XLogP3-AA | 2.8 |