Darunavir N-β-D-Glucuronide Sodium Salt (90%)

CAS: 1159613-25-8

Ref. TR-D193513

Informação sobre produto

• Nome: Darunavir N-β-D-Glucuronide Sodium Salt (90%)
• Sinónimos: 1-Deoxy-1-[[4-[[[(2R,3S)-3-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)amino]sulfonyl]phenyl]amino]-ß-D-glucopyranuronic Acid Sodium Salt

Descrição

Applications Darunavir N-β-D-Glucuronide Sodium Salt (90%) is a salt analogue of Darunavir N-β-D-Glucuronide (D193510), which is a metabolite of Darunavir (D193500) an inhibitor of human immunodeficiency virus (HIV) protease. It is a COVID19-related research product.
References Vermeir, M. et al.: Drug Metab. Disp., 37, 809 (2009); Koh, Y., et al.: Antimicrob. Agents Chemother., 47, 3123 (2003); Arasteh, K., et al.: AIDS, 19, 943 (2005);

• Marca: TRC

Propriedades químicas

• Peso molecular: 745.77
• Fórmula: C₃₃H₄₄N₃NaO₁₃S
• Pureza: 90%
• Cor/forma: Neat
• InChI: InChI=1S/C33H45N3O13S.Na/c1-18(2)15-36(50(44,45)21-10-8-20(9-11-21)34-30-28(40)26(38)27(39)29(49-30)31(41)42)16-24(37)23(14-19-6-4-3-5-7-19)35-33(43)48-25-17-47-32-22(25)12-13-46-32;/h3-11,18,22-30,32,34,37-40H,12-17H2,1-2H3,(H,35,43)(H,41,42);/q;+1/p-1/t22-,23-,24+,25-,26-,27-,28+,29-,30+,32+;/m0./s1
• Chave InChI: InChIKey=WSBXLUISWNDVNV-JRKKFUQZSA-M
• SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N[C@@H]2O[C@H](C(=O)O[Na])[C@@H](O)[C@H](O)[C@H]2O)cc1