| Identification | Back Directory | [Name]
5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid | [CAS]
1026785-55-6 | [Synonyms]
Lomibuvir
VX-222 (S1480
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-Dimethyl-1-butyn-1-yl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid
5-(3,3-DIMETHYLBUT-1-YN-1-YL)-3-((1R,4R)-N-((1R,4R)-4-HYDROXYCYCLOHEXYL)-4-METHYLCYCLOHEXANE-1-CARBOXAMIDO)THIOPHENE-2-CARBOXYLIC ACID | [Molecular Formula]
C25H35NO4S | [MOL File]
1026785-55-6.mol | [Molecular Weight]
445.61 |
| Chemical Properties | Back Directory | [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) | [form ]
Solid | [pka]
3.67±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [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. | [storage]
Store at -20°C | [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 |
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NCE Biomedical Co.,Ltd.
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4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988 |
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SPIRO PHARMA
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www.spiropharma.com.cn |
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