Grazoprevir

CAS: 1350514-68-9

Ref. TR-M424985

Product Information

• Name: Grazoprevir
• Synonyms: (1R,2S)-N-[[[(1R,2R)-2-[5-(3-Hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide Cyclic (1?2)-Ether
• CAS: 1350514-68-9

Description

Applications MK 5172, also known as Grazoprevir, is a second-generation NS3/4A protease inhibitor that is often used in combination with the second-generation NS5A inhibitor, Elbasvir (E501010), for the treatment of hepatitis C virus infection. It is a COVID19-related research product.
References Alric, L., et al.: Expert Opin. Pharmaco., 17, 735 (2016); Gentile, I., et al.: Expert Opin. Inv. Drug., 25, 557 (2016); Sulejmani, N., et al.: Expert Opin. Drug Met., 12, 353 (2016); Roensholt, F.F., et al.: Future Virol., 10, 691 (2015)

• Brand: TRC

Chemical properties

• Molecular weight: 766.90
• Formula: C₃₈H₅₀N₆O₉S
• Color/Form: Neat
• InChI: InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21?,22-,24-,29+,30-,31-,38-/m1/s1
• InChI key: InChIKey=OBMNJSNZOWALQB-NCQNOWPTSA-N
• SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1