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1350514-68-9

1350514-68-9 Structure

1350514-68-9 Structure
IdentificationBack Directory
[Name]

MK5172
[CAS]

1350514-68-9
[Synonyms]

2)-ether
Grazoprevir
MK 5172; MK5172
Grazoprevir /MK5172
MK-5172 (Grazoprevir)
MK 5172 (10mM in DMSO)
GRAZOPREVIR;MK 5172;MK-5172
(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→
(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
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)-
(1R,18R,20R,24S,27S)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxamide, potassiu
(1R,18R,20R,24S,27S)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxamide, potassium salt
[Molecular Formula]

C38H50N6O9S
[MOL File]

1350514-68-9.mol
[Molecular Weight]

766.9
Chemical PropertiesBack Directory
[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
[form ]

solid
[pka]

4.48±0.40(Predicted)
[color ]

White to off-white
[InChIKey]

OBMNJSNZOWALQB-PFWDIAGINA-N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
Hazard InformationBack Directory
[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.
[in vivo]

Grazoprevir (MK-5172) demonstrates efficacy in vivo against chronic-HCV-infected chimpanzees[1]. When dosed to dogs, Grazoprevir (MK-5172) shows low clearance of 5 mL/min/kg and a 3 h half-life after iv dosing and has good plasma exposure (AUC=0.4 μM h) after a 1 mg/kg oral dose. Dog liver biopsy studies showed that the liver concentration of Grazoprevir after the 1 mg/kg oral dose is 1.4 μM at the 24 h time point. Similar to its behavior in rats, Grazoprevir demonstrates effective partitioning into liver tissue and maintains high liver concentration, relative to potency, 24 h after oral dosing in dogs[2].

Spectrum DetailBack Directory
[Spectrum Detail]

MK5172(1350514-68-9)1HNMR
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