N-[(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl Ester (Mixture)

CAS: 1256490-48-8

Ref. TR-N497035

Product Information

• Name: N-[(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl Ester (Mixture)
• Synonyms: Isopropyl 2-(((4-nitrophenoxy)(phenoxy)phosphoryl)amino)propanoate
• Brand: TRC
• Description: Applications N-[(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl Ester Mixture 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.References Lam, A.M.,et al.: Antimicrob. Agents. Chemotherapy., 56, 3359 (2012); Lam, A.M., et al.: J. Virol., 85, 12334 (2011); Sofia, M.J., et al.: J. Medn. Chem., 53, 7202 (2010)

Chemical properties

• Molecular weight: 408.34
• Formula: C₁₈H₂₁N₂O₇P
• Color/Form: Neat
• InChI: InChI=1S/C18H21N2O7P/c1-13(2)25-18(21)14(3)19-28(24,26-16-7-5-4-6-8-16)27-17-11-9-15(10-12-17)20(22)23/h4-14H,1-3H3,(H,19,24)/t14-,28?/m0/s1
• InChI key: InChIKey=JFCDMGGMCUKHST-UHFFFAOYSA-N
• SMILES: Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1