Product Code
TRC-M424985
CAS Number
Product Format
Neat
Molecular Formula
C38 H50 N6 O9 S
Molecular Weight
766.90
Product Categories
TRC, Chiral Molecules , Enzyme inhibitors, Enzyme inhibitors, Antivirals and antiretrovirals, Pharmaceutical Toxicology Reference Materials
Alternate CAS Number
Purity
>95% (HPLC)
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MK 5172, also known as Grazoprevir, is a second-generation NS3/4A protease inhibitor often used in combination with the second-generation NS5A inhibitor Elbasvir (E501010) for the treatment of hepatitis C virus infection in genotypes 1 or 4 in adults.
References
[1] Alric, L., et al.: Expert Opin. Pharmaco., 17, 735 (2016).
[2] Gentile, I., et al.: Expert Opin. Inv. Drug., 25, 557 (2016).
[3] Sulejmani, N., et al.: Expert Opin. Drug Met., 12, 353 (2016).
[4] Roensholt, F.F., et al.: Future Virol., 10, 691 (2015).
Analyte Name
Grazoprevir
CAS Number
1350514-68-9
Molecular Formula
C38 H50 N6 O9 S
Molecular Weight
766.90
Accurate Mass
766.336
SMILES
COc1ccc2nc3CCCCCC4C[C@H]4OC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@]6(C[C@H]6C=C)C(=O)NS(=O)(=O)C7CC7)Oc3nc2c1)C(C)(C)C
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
Alternate CAS Number
Deleted: 1206524-75-5; 1356446-42-8
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
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