D-Alanine N-[(S)-[[(1R)-2-(6-Aamino-9Hpurin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-1-methylethyl Ester

CAS: 2053424-82-9

Ref. TR-I822465

Product Information

• Name: D-Alanine N-[(S)-[[(1R)-2-(6-Aamino-9Hpurin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-1-methylethyl Ester

Description

Stability Hygroscopic
Applications (R)-Isopropyl 2-(((S)-((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate is an impurity of Tenofovir (T018500) which is an acyclic phosphonate nucleotide analogue and reverse transcriptase inhibitor. It is used as an anti-HIV agent. Antiviral.
References Shaw, J.-P., et al.: Pharm. Res., 14, 1824 (1997); Wyles, D., et al.: Clin Infect. Dis., 40, 174 (2005), Peng, J., et al.: J. Clin. Pharmacol., 46, 265 (2006), Seminari, E., et al.: J. Antimicrob. Chemother., 60, 831 (2007);

• Brand: TRC

Chemical properties

• Molecular weight: 476.47
• Formula: C₂₁H₂₉N₆O₅P
• Color/Form: Neat
• InChI: InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16-,33+/m1/s1
• InChI key: InChIKey=LDEKQSIMHVQZJK-CLHSSPKMSA-N
• SMILES: CC(C)OC(=O)[C@@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1