CAS 1026785-59-0|VX-222 (VCH-222, Lomibuvir)

Introduction：Basic information about CAS 1026785-59-0|VX-222 (VCH-222, Lomibuvir), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. VX-222 (VCH-222, Lomibuvir) BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	VX-222 (VCH-222, Lomibuvir)
CAS Number	1026785-59-0	Molecular Weight	445.615
Density	1.2±0.1 g/cm3	Boiling Point	640.5±55.0 °C at 760 mmHg
Molecular Formula	C₂₅H₃₅NO₄S	Melting Point	/
MSDS	/	Flash Point	341.2±31.5 °C

Names

Name	vx-222
Synonym	More Synonyms

VX-222 (VCH-222, Lomibuvir) BiologicalActivity

Description	VX-222 (VCH-222) is a novel, potent and selective inhibitor of HCV polymerase with IC50 of 0.94-1.2 μM, 15.3-fold less effective for mutant M423T, and 108-fold less effective for mutant I482L.IC50 Value: 0.94 μM (HCV NS5B 1a); 1.2 μM (HCV NS5B 1b)Target: HCVVX-222 is a small molecule non-nucleoside inhibitor of HCV NS5B polymerase that is being investigated for the treatment of hepatitis C virus infection. VX-222 exhibits non-competitive and selective inhibition in HCV NS5B of genotype 1a and 1b, with IC50 of 0.94 and 1.2 μM, respectively. VX-222 selectively inhibits the replication of subgenomic HCV genotype 1a and 1b with an EC50 of 22.3 and 11.2 nM, respectively. [1] Similarly, a recent study shows that VX-222 inhibits the 1b/Con1 HCV subgenomic replicon, with an EC50 of 5 nM. In rats and dogs, VCH-222 displays fine pharmacokinetic pro le, including low total body clearance and excellent oral bioavailability (greater than 30%) and good ADME properties. VCH-222 is biotransformed by several enzymes (CYP1A1, 2A6, 2B6, 2C8, CYP 3A4, UGT1A3) and is predicted to be actively transported in liver and excreted mainly intact in bile or as glucuronide adducts.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>HCV ProteaseSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection
References	[1]. Yi G, Deval J, Fan B, Cai H, Soulard C, Ranjith-Kumar CT, Smith DB, Blatt L, Beigelman L, Kao CC.Biochemical study of the comparative inhibition of hepatitis C virus RNA polymerase by VX-222 and filibuvir.Antimicrob Agents Chemother. 2012 Feb;56(2):830-7. Epub 2011 Dec 5. [2]. Godzik P, Komorowski M, Cielecka-Kuszyk J, Madaliński K.[Inhibitors of hepatitis C virus--current standards and status of investigations].Przegl Epidemiol. 2010;64(4):473-8. [3]. M. Rodriguez-Torres et al. SAFETY AND ANTIVIRAL ACTIVITY OF THE HCV NON-NUCLEOSIDE POLYMERASE INHIBITOR VX-222 IN TREATMENT-NAIVE GENOTYPE 1 HCV-INFECTED PATIENTS Journal of Hepatology Volume 52, Supplement 1 , Page S14, April 2010

Description

VX-222 (VCH-222) is a novel, potent and selective inhibitor of HCV polymerase with IC50 of 0.94-1.2 μM, 15.3-fold less effective for mutant M423T, and 108-fold less effective for mutant I482L.IC50 Value: 0.94 μM (HCV NS5B 1a); 1.2 μM (HCV NS5B 1b)Target: HCVVX-222 is a small molecule non-nucleoside inhibitor of HCV NS5B polymerase that is being investigated for the treatment of hepatitis C virus infection. VX-222 exhibits non-competitive and selective inhibition in HCV NS5B of genotype 1a and 1b, with IC50 of 0.94 and 1.2 μM, respectively. VX-222 selectively inhibits the replication of subgenomic HCV genotype 1a and 1b with an EC50 of 22.3 and 11.2 nM, respectively. [1] Similarly, a recent study shows that VX-222 inhibits the 1b/Con1 HCV subgenomic replicon, with an EC50 of 5 nM. In rats and dogs, VCH-222 displays fine pharmacokinetic pro le, including low total body clearance and excellent oral bioavailability (greater than 30%) and good ADME properties. VCH-222 is biotransformed by several enzymes (CYP1A1, 2A6, 2B6, 2C8, CYP 3A4, UGT1A3) and is predicted to be actively transported in liver and excreted mainly intact in bile or as glucuronide adducts.

Related Catalog

Signaling Pathways >>Metabolic Enzyme/Protease >>HCV ProteaseSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection

References

[1]. Yi G, Deval J, Fan B, Cai H, Soulard C, Ranjith-Kumar CT, Smith DB, Blatt L, Beigelman L, Kao CC.Biochemical study of the comparative inhibition of hepatitis C virus RNA polymerase by VX-222 and filibuvir.Antimicrob Agents Chemother. 2012 Feb;56(2):830-7. Epub 2011 Dec 5.

[2]. Godzik P, Komorowski M, Cielecka-Kuszyk J, Madaliński K.[Inhibitors of hepatitis C virus--current standards and status of investigations].Przegl Epidemiol. 2010;64(4):473-8.

[3]. M. Rodriguez-Torres et al. SAFETY AND ANTIVIRAL ACTIVITY OF THE HCV NON-NUCLEOSIDE POLYMERASE INHIBITOR VX-222 IN TREATMENT-NAIVE GENOTYPE 1 HCV-INFECTED PATIENTS Journal of Hepatology Volume 52, Supplement 1 , Page S14, April 2010

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	640.5±55.0 °C at 760 mmHg
Molecular Formula	C₂₅H₃₅NO₄S
Molecular Weight	445.615
Flash Point	341.2±31.5 °C
Exact Mass	445.228668
PSA	106.08000
LogP	5.15
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.589
Storage condition	-20℃

Synonyms

5-(3,3-Dimethyl-1-butyn-1-yl)-3-{(cis-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid

2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(cis-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-

vx-222 vx222

VX222

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