| Synonyms |
2'-Deoxy-2'-fluoro-2'-methylcytidine; R 1656; R-1656; R1656; 2'-F-2'-Me-dC; 2'-Deoxy-2'-fluoro-2'-C-methylcytidine; PSI 6130; PSI6130; 4-Amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidin-2(1H)-one; 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-2-methyl-β-D-ribofuranosyl)-; 2'-Fluoro-2'-deoxy-2'-methylcytidine |
| IUPAC Name |
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one |
| Molecular Weight |
259.23 |
| Molecular Formula |
C10H14FN3O4 |
| Canonical SMILES |
CC1(C(C(OC1N2C=CC(=NC2=O)N)CO)O)F |
| InChI |
InChI=1S/C10H14FN3O4/c1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t5-,7-,8-,10-/m1/s1 |
| InChIKey |
NYPIRLYMDJMKGW-VPCXQMTMSA-N |
| Boiling Point |
482.4±55.0 °C at 760 mmHg |
| Melting Point |
>162°C (dec.) |
| Flash Point |
245.5±31.5 °C |
| Purity |
≥97% by HPLC |
| Density |
1.67±0.1 g/cm3 (Predicted) |
| Solubility |
Soluble in Methanol (Slightly), Water (Slightly) |
| Appearance |
White to Light Brown Solid |
| Storage |
Store at -20°C under inert atmosphere |
| Complexity |
427 |
| Exact Mass |
259.09683410 |
| Index Of Refraction |
1.653 |
| 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. 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. |
| PSA |
110.60000 |
| Target |
IC50: 0.6 μM (HCV replication) |
| Vapor Pressure |
0.0±2.7 mmHg at 25°C |
| XLogP3-AA |
-1.4 |
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