Introduction：Basic information about CAS 817204-33-4|PSI-6130, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | PSI-6130 |
|---|
| CAS Number | 817204-33-4 | Molecular Weight | 259.234 |
|---|
| Density | 1.7±0.1 g/cm3 | Boiling Point | 482.4±55.0 °C at 760 mmHg |
|---|
| Molecular Formula | C10H14FN3O4 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 245.5±31.5 °C |
|---|
Names
| Name | 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one |
|---|
| Synonym | More Synonyms |
|---|
PSI-6130 BiologicalActivity
| Description | PSI-6130 is a potent and selective inhibitor of HCV NS5B polymerase, and inhibits HCV replication with a mean IC50 of 0.6 μM. |
|---|
| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>HCV ProteaseSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection |
|---|
| Target | IC50: 0.6 μM (HCV replication)[2] |
|---|
| In Vitro | PSI-6130 exhibits potent and specific inhibitory activity against HCV RNA replication mediated by the NS5B polymerase. Both PSI-6130 inhibit HCV GT-1b (Con1 strain) and GT-1a (H77 strain) subgenomic RNA replication, with mean EC50 values of 0.51 and 0.30 μM, respectively. PSI-6130 inhibits 40% human serum with EC50 of 0.51 μM[1]. PSI-6130 inhibits HCV replication with a mean IC50 of 0.6 μM, PSI-6130-TP inhibits HCV replicase with a mean IC50 of 0.34 μM. PSI-6130-TP inhibits recombinant HCV Con1 NS5B on a heteropolymeric RNA template derived from the 3′-end of the negative strand of the HCV genome with an IC50 of 0.13 μM and Ki of 0.023 μM[2]. |
|---|
| Kinase Assay | The inhibition potency of compounds with respect to the RdRp activity of recombinant NS5B570-BK, NS5B570-Con1, and NS5B570-H77 proteins is determined by measuring the incorporation of radiolabeled NMP into acid-insoluble RNA products by use of a complement strand of internal ribosomal entry site (cIRES) RNA template. Briefly, 50% inhibitory concentration (IC50) determinations are carried out using 200 nM in vitro-transcribed cIRES RNA template, 1 μCi of tritiated UTP (42 Ci/mmol), 500 μM ATP, 500 μM GTP, 1 μM CTP, 1× TMDN buffer (40 mM Tris-HCl [pH 8.0], 4 mM MgCl2, 4 mM dithiothreitol, 40 mM NaCl), and 200 nM enzyme. The inhibition potency of compounds with respect to the RdRp activity of NS5B570-S282T-Con1 is determined under GT-1b assay conditions as. NS5B570-BK and NS5B570-Con1 enzymes are used as controls. The final reaction volume is 50 μL under all assay conditions. All reactions contain a final 10% dimethyl sulfoxide. Km and Ki values are measured. |
|---|
| References | [1]. Ali S, et al. Selected replicon variants with low-level in vitro resistance to the hepatitis C virus NS5B polymerase inhibitor PSI-6130 lack cross-resistance with R1479. Antimicrob Agents Chemother. 2008 Dec;52(12):4356-69. [2]. Ma H, et al. Characterization of the metabolic activation of hepatitis C virus nucleoside inhibitor beta-D-2'-Deoxy-2'-fluoro-2'-C-methylcytidine (PSI-6130) and identification of a novel active 5'-triphosphate species. J Biol Chem. 2007 Oct 12;282(41):29812-20. Epub 2007 Aug 13. |
|---|
Chemical & Physical Properties
| Density | 1.7±0.1 g/cm3 |
|---|
| Boiling Point | 482.4±55.0 °C at 760 mmHg |
|---|
| Molecular Formula | C10H14FN3O4 |
|---|
| Molecular Weight | 259.234 |
|---|
| Flash Point | 245.5±31.5 °C |
|---|
| Exact Mass | 259.096832 |
|---|
| PSA | 110.60000 |
|---|
| LogP | -0.72 |
|---|
| Vapour Pressure | 0.0±2.7 mmHg at 25°C |
|---|
| Index of Refraction | 1.653 |
|---|
| InChIKey | NYPIRLYMDJMKGW-VPCXQMTMSA-N |
|---|
| SMILES | CC1(F)C(O)C(CO)OC1n1ccc(N)nc1=O |
|---|
Synonyms
| 2'-Deoxy-2'-fluoro-2'-methylcytidine |
| Cytidine, 2'-deoxy-2'-fluoro-2'-methyl- |
| 2'-Fluoro-2'-C-methylcytidine |
| 2'-deoxy-2'-fluoro-2'-C-methylcytidine |
| PSI6130 |
| R-1656 |
| PSI-6130 |
