Grazoprevir

CAT: 0013-GTR19170558-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0013-GTR19170558-03Size:1 ml x 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Grazoprevir is a macrocyclic protease inhibitor targeting the HCV NS3/4A protein. It is utilized in research, notably in combination with elbasvir, to study antiviral mechanisms and efficacy in both in vitro assays and in vivo models of hepatitis C virus infection.

CAS Number

1350514-68-9

Product Name Alternative

Inhibit, MK5172, MK-5172, MK 5172, Inhibitor, HCV, HCV NS3/4A protease, HCVProtease, HCV Protease, Hepatitis C virus, gt1a, gt1b, Grazoprevir, SARS coronavirus, SARSCoV, SARS-CoV

Field of Research

Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry

Purity

99.36% (May vary between batches)

Solubility

DMSO:125 mg/mL (162.99 mM) ; Ethanol:15 mg/mL (19.56 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.61 mM)

Smiles

[H][C@@]12C[C@@]1 ([H]) OC (=O) N[C@] ([H]) (C (=O) N1C[C@@] ([H]) (C[C@H]1C (=O) N[C@@]1 (C[C@H]1C=C) C (=O) NS (=O) (=O) C1CC1) Oc1nc3cc (OC) ccc3nc1CCCCC2) C (C) (C) C

Molecular Formula

C38H50N6O9S

Molecular Weight

766.9

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Grazoprevir

Grazoprevir is 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. It has a role as an antiviral drug, a hepatoprotective agent and a hepatitis C protease inhibitor. It is a carbamate ester, a lactam, an aromatic ether, a quinoxaline derivative, a member of cyclopropanes, an azamacrocycle and a N-sulfonylcarboxamide.

CAS Number	1350514-68-9
PubChem CID	44603531
IUPAC Name	(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide
Molecular Formula	C38H50N6O9S
Molecular Weight	766.9
XLogP	4.7
Topological Polar Surface Area	204
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	54
Formal Charge	0
Complexity	1580

SMILES

CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=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

Chemical Structure

2D Structure

CAS: 1350514-68-9

CID: 44603531

Formula: C38H50N6O9S

MW: 766.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	766.9
XLogP3	4.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	766.33599837
Monoisotopic Mass	766.33599837
Topological Polar Surface Area	204 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1580
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3607245-01	Grazoprevir
AEC46255-01	Grazoprevir hydrate
A17303-50	Grazoprevir 50mg
A17303-25	Grazoprevir 25mg

Grazoprevir

Chemical Information

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