5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid

Product Name: 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid
CAS No.: 1026785-55-6
Chemical Name: 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid
Synonyms: Lomibuvir;VX-222 (S1480;Lomibuvir, 10 mM in DMSO;5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid;RdRp,Lomibuvir,cis-Lomibuvir,cis-isomer,DNA/RNA Synthesis,HCV,inhibit,Inhibitor,non-nucleoside polymerase,Hepatitis C virus;5-(3,3-Dimethyl-1-butynyl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]thiophene-2-carboxylic acid;5-(3,3-Dimethylbut-1-yn-1-yl)-3-(trans-N-(trans-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid;5-(3,3-Dimethyl-1-butyn-1-yl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid;2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-;5-(3,3-DIMETHYLBUT-1-YN-1-YL)-3-((1R,4R)-N-((1R,4R)-4-HYDROXYCYCLOHEXYL)-4-METHYLCYCLOHEXANE-1-CARBOXAMIDO)THIOPHENE-2-CARBOXYLIC ACID
CBNumber: CB32638545
Molecular Formula: C25H35NO4S
Formula Weight: 445.61
MOL File: 1026785-55-6.mol

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5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid Property

Boiling point:: 640.5±55.0 °C(Predicted)
Density: 1.21±0.1 g/cm3(Predicted)
storage temp.: Store at -20°C
solubility: DMSO: ≥ 32 mg/mL (71.81 mM)
pka: 3.67±0.10(Predicted)
form: Solid
color: White to off-white

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: SML2648
Product name: Lomibuvir
Purity: ≥98% (HPLC)
Packaging: 5 mg
Price: $95.75
Updated: 2025/07/31

Sigma-Aldrich

Product number: SML2648
Product name: Lomibuvir
Purity: ≥98% (HPLC)
Packaging: 25 mg
Price: $509
Updated: 2025/07/31

ChemScene

Product number: CS-0268
Product name: Lomibuvir
Purity: 99.90%
Packaging: 50mg
Price: $630
Updated: 2021/12/16

ChemScene

Product number: CS-0268
Product name: Lomibuvir
Purity: 99.90%
Packaging: 5mg
Price: $120
Updated: 2021/12/16

ChemScene

Product number: CS-0268
Product name: Lomibuvir
Purity: 99.90%
Packaging: 10mg
Price: $210
Updated: 2021/12/16

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5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid Chemical Properties,Usage,Production

Uses

Lomibuvir (VX-222), a selective, non-nucleoside polymerase inhibitor, targets thumb pocket 2 of the HCV NS5B polymerase (RdRp) with a Kd of 17 nM. Lomibuvir inhibits the 1b/Con1 HCV subgenomic replicon with an EC50 of 5.2 nM. Lomibuvir preferentially inhibits elongative RNA synthesis rather than de novo-initiated RNA synthesis[1].

Definition

ChEBI: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid is a thiophenecarboxylic acid.

References

[1] Yi G, Deval J, et al. Biochemical study of the comparative inhibition of hepatitis C virus RNA polymerase by VX-222 and filibuvir. Antimicrob Agents Chemother. 2012;56(2):830-837. DOI:10.1128/AAC.05438-11
[2] Li P, Dorsch W, et al. Discovery of Novel Allosteric HCV NS5B Inhibitors. 2. Lactam-Containing Thiophene Carboxylates. ACS Med Chem Lett. 2017;8(2):251-255. Published 2017 Jan 31. DOI:10.1021/acsmedchemlett.6b00479
[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

5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid Suppliers

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1026785-55-6, 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acidRelated Search:

5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid

5-(3,3-Dimethyl-1-butynyl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]thiophene-2-carboxylic acid

Lomibuvir

VX-222 (S1480

5-(3,3-DIMETHYLBUT-1-YN-1-YL)-3-((1R,4R)-N-((1R,4R)-4-HYDROXYCYCLOHEXYL)-4-METHYLCYCLOHEXANE-1-CARBOXAMIDO)THIOPHENE-2-CARBOXYLIC ACID

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

RdRp,Lomibuvir,cis-Lomibuvir,cis-isomer,DNA/RNA Synthesis,HCV,inhibit,Inhibitor,non-nucleoside polymerase,Hepatitis C virus

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

5-(3,3-Dimethylbut-1-yn-1-yl)-3-(trans-N-(trans-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid

Lomibuvir, 10 mM in DMSO

1026785-55-6