1350514-68-9

Basic information

• Product Name: MK5172
• 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;Grazoprevir;Grazoprevir /MK5172;(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 NO: 1350514-68-9
• Molecular Formula: C38H50N6O9S
• Molecular Weight: 766.9034
• Product Categories: API
• Mol File: 1350514-68-9.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• Density: 1.38±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility: ≥38.35 mg/mL in DMSO; insoluble in H2O; ≥24 mg/mL in EtOH with gentle warming and ultrasonic
• PKA: 4.48±0.40(Predicted)
• CAS DataBase Reference: MK5172(CAS DataBase Reference)
• NIST Chemistry Reference: MK5172(1350514-68-9)
• EPA Substance Registry System: MK5172(1350514-68-9)

Safety Data

• Hazardous Substances Data: 1350514-68-9(Hazardous Substances Data)

Usage

Uses

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.

Definition

ChEBI: An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.

Upstream product

• 772337-53-8 (1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamide 
• 1206524-85-7 (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradeca-hydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid hydrate 
• 1224174-07-5 (S)-1-chlorohept-6-en-2-ol 
• 74844-91-0 1-tert-butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate 
• 1425038-21-6 (S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-yn-1-yl)cyclopropoxy)carbonyl)amino)butanoic acid tert-butylamine salt 
• 1425038-19-2 (S)-3,3-dimethyl-2-(((1R,2R)-2-(pent-4-ynyl)cyclopropoxy)carbonylamino)butanoic acid 
• 1350619-77-0 (1R,2R)-2-(pent-4-yn-1-yl)cyclopropan-1-ol 
• 1425038-26-1 C₃₀H₄₂N₄O₈ 
• 1028252-16-5 (1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide, p-toluenesulfonate salt 
• 1425038-23-8 methyl (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-18,19-didehydro-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3, 6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylate 
• 1425038-22-7 (S )-2-(((1R,2R)-2-(5-(6-methoxy-3-((3R,5S)-5-(methoxycarbonyl)pyrrolidin-3-yloxy)quinoxalin-2-yl)pent-4-ynyl)cyclopropoxy)carbonylamino)-3,3-dimethylbutanoicacid 
• 39267-04-4 2,3-dichloro-6-methoxyquinoxaline 
• 1425038-20-5 (2S,4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-2-(methoxycarbonyl)pyrrolidin-1-ium methanesulfonate 
• 31910-18-6 2,3-dihydroxy-6-methoxyquinoxaline 

Relevant articles and documents

Synthesis of Grazoprevir, a Potent NS3/4a Protease Inhibitor for the Treatment of Hepatitis C Virus

An efficient synthesis of grazoprevir is reported. Starting from four readily available building blocks, grazoprevir is prepared in 51% overall yield and >99.9% purity for pharmaceutical use.

Inhibitors of nedd8-activating enzyme

The invention relates to an administration unit comprising crystalline form I of {(1 S,2S,4R)-4-[(6-{[(1R,2S)-5-chloro-2methoxy-2,3-dihydro-1H-inden-1-yl]amino}pyrimidin-4-yl)oxy]-2-hydroxycyclopentyl}methyl sulfamate (I-216) hydrochloride salt and to a packaging comprising the administration unit according to the invention.

Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors

The present invention relates to macrocyclic a compound of formula (I) and its use as inhibitors of the hepatitis C virus (HCV) NS3 protease, and in treating or preventing HCV infections.