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Antiviral API
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N-[(2'R)-2'-Deoxy-6-O-ethyl-2'-fluoro-4'-C-fluoro-2'-methyl-P-phenyl-5'-guanylyl]-L-alanine 1-methylethyl ester
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| Category | HCV Protease |
| CAS | 1613591-70-0 |
| Description | N-[(2'R)-2'-Deoxy-6-O-ethyl-2'-fluoro-4'-C-fluoro-2'-methyl-P-phenyl-5'-guanylyl]-L-alanine 1-methylethyl ester is a nucleotide analog with modifications designed to enhance its antiviral properties. By mimicking natural nucleotides, this compound can integrate into viral RNA or DNA, disrupting replication due to its fluorinated and methylated groups, which increase stability and binding affinity. This makes it a potential candidate for inhibiting viral polymerases, thereby impeding viral replication and offering therapeutic benefits against various RNA or DNA viruses. |
Product Information
| Synonyms | Isopropyl (2S)-2-{[{[(2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate; L-Alanine, N-[(2'R)-2'-deoxy-6-O-ethyl-2'-fluoro-4'-C-fluoro-2'-methyl-P-phenyl-5'-guanylyl]-, 1-methylethyl ester; Isopropyl ((((2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate; Isopropyl N-[(2'R)-2'-Deoxy-6-O-ethyl-2'-fluoro-4'-C-fluoro-2'-methyl-P-phenyl-5'-guanylyl]-L-alanine |
| IUPAC Name | propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| Molecular Weight | 614.54 |
| Molecular Formula | C25H33F2N6O8P |
| Canonical SMILES | CCOC1=NC(=NC2=C1N=CN2C3C(C(C(O3)(COP(=O)(NC(C)C(=O)OC(C)C)OC4=CC=CC=C4)F)O)(C)F)N |
| InChI | InChI=1S/C25H33F2N6O8P/c1-6-37-19-17-18(30-23(28)31-19)33(13-29-17)22-24(5,26)21(35)25(27,40-22)12-38-42(36,41-16-10-8-7-9-11-16)32-15(4)20(34)39-14(2)3/h7-11,13-15,21-22,35H,6,12H2,1-5H3,(H,32,36)(H2,28,30,31)/t15-,21-,22+,24+,25+,42?/m0/s1 |
| InChIKey | ZPUNZSJZZGWNSN-UNWTUYFGSA-N |
| Boiling Point | 758.9±70.0 °C at 760 mmHg |
| Purity | >99% |
| Density | 1.52±0.1 g/cm3 |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20 °C |
| Complexity | 985 |
| Exact Mass | 614.20655535 |
| Target | HCV Protease |
| XLogP3-AA | 2.3 |
