4-epi-Ritonavir

CAS: 1414933-81-5

Ref. TR-R536000

Produktinformation

• Name: 4-epi-Ritonavir
• Synonyme: 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4R,6S,9S)-, Ritonavir Imp. O (EP)

Beschreibung

Impurity Ritonavir EP Impurity O
Applications 4-epi-Ritonavir (Ritonavir EP Impurity O) is an isomer of Ritonavir (R535000), a selective HIV protease inhibitor. It is a COVID19-related research product.
References Daluge, S., et al.: Antimicrob. Agents Chemother., 38, 1590 (1994), Ammaranond, P., et al.: J. Clin. Virol., 26, 153 (2003), Harrigan, P., et al.: J. Infect. Dis., 191, 339 (2005), Miller, J., et al.: Bioorg. Med. Chem. Lett., 16, 1788(2006)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 720.94
• Formel: C₃₇H₄₈N₆O₅S₂
• Farbe/Form: Neat
• InChl: InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32+,33-/m0/s1
• InChI Key: InChIKey=NCDNCNXCDXHOMX-RACJEYCXSA-N
• SMILES: CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1