BGC > Product Search > MK5172 | 1350514-68-9

Molecular Formula: C38H50N6O9S
Molecular Weight: 766.9034

Molecular Formula: C38H50N6O9S
Molecular Weight: 766.9034

Molecular Formula: C38H50N6O9S
Molecular Weight: 766.9034

Description :
Grazoprevir is a hepatitis C virus protease inhibitor developed for the treatment of hepatitis C. It suppresses NS3 and NS4A, which play a role in the virus splitting its polyprotein into the functional virus proteins. Grazoprevir is often used in combination with elbasvir or ribavirin.

• Molecular Weight :766.91
• Boiling Point :825.0±65.0 °C at 760 mmHg
• Melting Point :180-185°C
• Purity :> 98%

Molecular Formula :
C38H50N6O9S
Canonical SMILES :
CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1
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
InChIKey :
OBMNJSNZOWALQB-NCQNOWPTSA-N
Solubility :
Soluble in Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol
Appearance :
White to Off-white Solid
Application :
Antiviral Agents
Storage : Store at -20°C
Synonyms :
Cyclopropanecarboxamide, 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-ethenyl-, cyclic (1→2)-ether, (1R,2S)-; Grazoprevir; (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

More details are to be found here

Purity : 98%
Smile code : O=C([C@H]1N(C([C@@H](N2)C(C)(C)C)=O)C[C@@](OC3=NC4=CC(OC)=CC=C4N=C3CCCCC[C@H]5[C@@H](C5)OC2=O)([H])C1)N[C@]6([C@H](C=C)C6)C(NS(=O)(C7CC7)=O)=O
MDL Number : MFCD22741510
MolFormula : C38H50N6O9S
MolWeight : 766.9034
Available in stock : 0.975

More details are to be found here