Ritonavir O-Beta-D-Glucuronide

CAS: 190649-36-6

Ref. TR-R535005

Produktinformation

• Name: Ritonavir O-Beta-D-Glucuronide
• Synonyme: (1S,3S)-3-[[(2S)-3-Methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-4-phenyl-1-[(1S)-2-phenyl-1-[[(5-thiazolylmethoxy)carbonyl]amino]ethyl]butyl ß-D-Glucopyranosiduronic Acid

Beschreibung

Applications Ritonavir O-β-D-Glucuronide is a metabolite 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); Denissen, J.F., et al.: Drug Metab. Dispos., 25, 489 (1997)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 897.07
• Formel: C₄₃H₅₆N₆O₁₁S₂
• Farbe/Form: Neat
• InChl: InChI=1S/C43H56N6O11S2/c1-24(2)33(48-42(56)49(5)20-29-22-61-39(46-29)25(3)4)38(53)45-28(16-26-12-8-6-9-13-26)18-32(59-41-36(52)34(50)35(51)37(60-41)40(54)55)31(17-27-14-10-7-11-15-27)47-43(57)58-21-30-19-44-23-62-30/h6-15,19,22-25,28,31-37,41,50-52H,16-18,20-21H2,1-5H3,(H,45,53)(H,47,57)(H,48,56)(H,54,55)/t28-,31-,32-,33-,34-,35-,36+,37-,41+/m0/s1
• InChI Key: InChIKey=WMFKMLDNCXIXQE-ZXOKULDVSA-N
• SMILES: CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1