Danoprevir (ITMN-191) - 10mM in DMSO , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.850876-88-9, Hepatitis C virus serine protease, NS3/NS4A inhibitor

CAS: 850876-88-9 Cat. No.: D408180 Molecular Weight: 731.85

GRADE & PURITY 10mM in DMSO

Synonyms

RG7227 | 2H-Isoindole-2-carboxylic acid, 4-fluoro-1,3-dihydro-, (2R,6S,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrro

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Danoprevir (ITMN-191, RG7227) is a peptidomimetic inhibitor of theNS3/4A proteaseof hepatitis C virus (HCV) withIC50of 0.2-3.5 nM, inhibition effect for HCV genotypes 1A/1B/4/5/6 is ~10-fold higher than 2B/3A. Phase 2.
In vitro

Danoprevir (0.29 nM) inhibits the reference genotype 1 NS3/4A protease half-maximally, but a high dose of Danoprevir (10 μM) shows no appreciably inhibition in a panel of 79 proteases, ion channels, transporters, and cell surface receptors. Danoprevir remains bound to and inhibits NS3/4A for more than 5 hours after its initial association. Danoprevir (45 nM) eliminates a patient-derived HCV genotype 1b replicon from hepatocyte-derived Huh7 cells with an EC50 of 1.8 nM. In HCV subgenomic replicon cell lines containing the individual mutations, V36M, R109K, and V170A substitutions confer little or no resistance to Danoprevir, but the R155K substitution confers a high level (62-fold increase) of resistance to Danoprevir. In Huh7.5 cells transfected with chimeric recombinant virus, Danoprevir shows antiviral inhibition effects against HCV genotypes 1, 4 and 6 with IC50 of 2-3 nM, which are >100-fold lower than genotypes 2/3/5 (280-750 nM).

In vivo

Danoprevir (30 mg/kg) administered to rats or monkeys shows that its concentrations in liver 12 hours after dosing exceed the Danoprevir concentration required to eliminate replicon RNA from cells.
Cell Data

cell lines：

Concentrations：5 pM - 100 nM

Incubation Time：48 hours

Powder Purity:≥95%

Specifications

Synonyms

RG7227 | 2H-Isoindole-2-carboxylic acid, 4-fluoro-1, 3-dihydro-, (2R, 6S, 13aS, 14aR, 16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1, 1-dimethylethoxy)carbonyl]amino]-1, 2, 3, 5, 6, 7, 8, 9, 10, 11, 13a, 14, 14a, 15, 16, 16a-hexadecahydro-5, 16-dioxocyclopropa[e]pyrro

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Danoprevir (ITMN-191, RG7227) is a peptidomimetic inhibitor of the NS3/4A protease of hepatitis C virus (HCV) with IC50 of 0.2-3.5 nM, inhibition effect for HCV genotypes 1A/1B/4/5/6 is ~10-fold higher than 2B/3A. Phase 2.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Hepatitis C virus serine protease, NS3/NS4A inhibitor

Product Properties

• ALogP: 3.3

Names and Identifiers

• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6
• Molecular Weight: 731.85
• Reaxy-Rn: 31131204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31131204&ln=

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Water: 26 mg/mL (198.27 mM); DMSO: Insoluble; Ethanol: Insoluble