N-[[P(S),2'R]-2'-deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-P-phenyl-5'-uridylyl]-L-alanine 1-Methylethyl Ester
Grundinformationen
- CAS
1256490-54-6- Standard-SMILES
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O[Si](C)(C)C(C)(C)C)Oc1ccccc1- InChIKey
UCYXDDZOEPNQHJ-OKDFTYPQSA-N- Summenformel
- C28H43FN3O9PSi
- Durchschnittliche Molmasse
- 643,7 g/mol
Namen und Bezeichner
- Bevorzugter Name
- N-[[P(S),2'R]-2'-deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-P-phenyl-5'-uridylyl]-L-alanine 1-Methylethyl Ester
- IUPAC
- propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
- Englischer Name
- N-[[P(S),2''R]-2''-deoxy-3''-O-[(1,1-dimethylethyl)dimethylsilyl]-2''-fluoro-2''-methyl-P-phenyl-5''-uridylyl]-L-alanine 1-Methylethyl Ester
- Summenformel
- C28H43FN3O9PSi
- Molmasse
- 643.72
Namen und Synonyme
1256490-54-6N-[[P(S),2'R]-2'-deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-P-phenyl-5'-uridylyl]-L-alanine 1-Methylethyl EsterSCHEMBL13051668-deoxy-3’-fluoro-2’N-[[P(S),2’-methyl-P-phenyl-5’-uridylyl]-L-alanine1-MethylethylEster-O-[(1,1-dimethylethyl)dimethylsilyl]-2’L-Alanine, N-[[P(S),2'R]-2'-deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-P-phenyl-5'-uridylyl]-, 1-methylethyl esterN-[[P(S),2''R]-2''-deoxy-3''-O-[(1,1-dimethylethyl)dimethylsilyl]-2''-fluoro-2''-methyl-P-phenyl-5''-uridylyl]-L-alanine 1-Methylethyl Ester
Datenbank-Bezeichner
- CAS
1256490-54-6
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 142 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 43
- Formalladung
- 0
- Komplexität
- 1.110
Physikochemische Eigenschaften
- Dichte
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- Löslichkeit
- Chloroform, Dichloromethane, Methanol
- pka
- 9.39 · 9.39±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White
Chemie und Industrie
Anwendungen
VerwendenN-[[P(S),2''R]-2''-deoxy-3''-O-[(1,1-dimethylethyl)dimethylsilyl]-2''-fluoro-2''-methyl-P-phenyl-5''-uridylyl]-L-alanine 1-Methylethyl Ester is an intermediate in the synthesis of Sofosbuvir (R)-Phosphate (S675615), which is an impurity of PSI-7977 (P839640), a prodrug that is metabolized to the active antiviral agent 2''-deoxy-2''-α-fluoro-β-C-methyluridine-5''-monophosphate and is currently being investigated in phase 3 clinical trials for the treatment of hepatitis C. Studies have profiled PSI-7977 as a nucleotide inhibitor of hepatitis C virus, exerting selective inhibitory effects towards HCV NS5B polymerase.
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