Anti-virus agent 1

• CAT Number: I014945
• CAS Number: 1911578-83-0
• Molecular Formula: C24H29N6O8P
• Molecular Weight: 560.50
• Purity: ≥95%
• Synonyms: propan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• InChI: InChI=1S/C24H29N6O8P/c1-14(2)36-23(33)15(3)29-39(34,38-16-7-5-4-6-8-16)35-11-18-20(31)21(32)24(12-25,37-18)19-10-9-17-22(26)27-13-28-30(17)19/h4-10,13-15,18,20-21,31-32H,11H2,1-3H3,(H,29,34)(H2,26,27,28)/t15-,18+,20+,21+,24-,39-/m0/s1
• InChIKey: QXBLGVOITWEDBZ-QNYHHDFTSA-N
• SMILES: CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4

Anti-virus agent 1 (compound 4i), a phosphoramidate proagent of GS-5734 (HY-104077; Remdesivir), has potent antiviral activity. Anti-virus agent 1 is used for the research of coronavirus and Ebola virus (EBOV)[1][2].
Anti-virus agent 1 (compound 4i) has antiviral activity for EBOV in HeLa cell (EC50=1845 nM), HMVEC cell (TERT-immortalized human foreskin microvascular endothelial cells; ATCC-4025; EC50=367 nM), human macrophages (EC50=297 nM). Anti-virus agent 1 has a CC50 of 21 μM in MT4 cell (human leukemia T-cell)[1].

Reference

[1]. Dustin Siegel , et al. Discovery and Synthesis of a Phosphoramidate Prodrug of a Pyrrolo[2,1-f][triazin-4-amino] Adenine C-Nucleoside (GS-5734) for the Treatment of Ebola and Emerging Viruses. J Med Chem. 2017 Mar 9;60(5):1648-1661.
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[2]. Michael O’ Neil Hanrahan Clarke, et al.Methods for treating arenaviridae and coronaviridae virus infections. US20170071964A1.