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Merck
CN

SML2648

Lomibuvir

≥98% (HPLC)

Synonym(s):

5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid, 5-(3,3-Dimethyl-1-butynyl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]thiophene-2-carboxylic acid, 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid, VCH 222, VCH-222, VCH222, VX 222, VX-222, VX222

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About This Item

Empirical Formula (Hill Notation):
C25H35NO4S
CAS Number:
1026785-55-6
Molecular Weight:
445.61
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD24444577

Key Documents

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SMILES string

[s]1c(c(cc1C#CC(C)(C)C)N([C@@H]3CC[C@H](CC3)O)C(=O)[C@@H]2CC[C@H](CC2)C)C(=O)O

InChI key

WPMJNLCLKAKMLA-VVPTUSLJSA-N

InChI

1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19-

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

Related Categories

Biochem/physiol Actions

Lomibuvir (VX-222; VCH-222) is a non-cytotoxic, orally active non-nucleoside inhibitor (NNI) against hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase (genotype 1a/1b IC50 = 0.94/1.2 μM). Lomibuvir exhibits HCV genotype-selective antiviral activity in vitro (genotype 1a//1b EC50 = 23.3 nM/12 nM; ineffective against 2a & 2b) and in vivo by targeting HCV NS5B thumb II allosteric pocket, exhibiting no inhibitory potency against human DNA polymerase (α, β, γ IC50 ≥56 μM), respiratory syncytial virus, Influenza A and B, and West Nile virus.
Non-cytotoxic, orally active hepatitis C virus (HCV) NS5B RNA polymerase inhibitor with HCV genotype 1a/1b-selective antiviral activity in vitro and in vivo.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000087291
0000087290
0000087290
0000087291
0000076859

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Johan Winquist et al.
Antiviral research, 97(3), 356-368 (2013-01-12)
Development of allosteric inhibitors into efficient drugs is hampered by their indirect mode-of-action and complex structure-kinetic relationships. To enable the design of efficient allosteric drugs targeting the polymerase of hepatitis C virus (NS5B), the interaction characteristics of three non-nucleoside compounds
Jiawen Li et al.
The Journal of biological chemistry, 291(19), 10067-10077 (2016-02-07)
Replication of the hepatitis C viral genome is catalyzed by the NS5B (nonstructural protein 5B) RNA-dependent RNA polymerase, which is a major target of antiviral drugs currently in the clinic. Prior studies established that initiation of RNA replication could be
Nam-Joon Cho et al.
ACS central science, 2(7), 456-466 (2016-08-10)
Therapeutic targeting of membrane-associated viral proteins is complicated by the challenge of investigating their enzymatic activities in the native membrane-bound state. To permit functional characterization of these proteins, we hypothesized that the supported lipid bilayer (SLB) can support in situ
Santseharay Ramirez et al.
Hepatology (Baltimore, Md.), 59(2), 395-407 (2013-08-06)
Hepatitis C virus (HCV) is a genetically diverse virus with multiple genotypes exhibiting remarkable differences, particularly in drug susceptibility. Drug and vaccine development will benefit from high-titer HCV cultures mimicking the complete viral life cycle, but such systems only exist
Daryl Humes et al.
Virology, 522, 177-192 (2018-07-23)
The six major epidemiologically important hepatitis C virus (HCV) genotypes differ in global distribution and antiviral responses. Full-length infectious cell-culture adapted clones, the gold standard for HCV studies in vitro, are missing for genotypes 4 and 5. To address this
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