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
- Molecular Weight:
- 445.61
- MDL Number:
- MOL File:
- 1026785-55-6.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| Lomibuvir ≥98% (HPLC) | SML2648 | 5 mg | $91.8 |
| Lomibuvir ≥98% (HPLC) | SML2648 | 25 mg | $545 |
| Lomibuvir 99.90% | CS-0268 | 50mg | $630 |
| Lomibuvir 99.90% | CS-0268 | 5mg | $120 |
| Lomibuvir 99.90% | CS-0268 | 10mg | $210 |
5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid Properties
| 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 |
| FDA UNII | 37L2LF4A2D |
5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | SML2648 | Lomibuvir ≥98% (HPLC) | 1026785-55-6 | 5 mg | $91.8 | 2026-03-19 | Buy |
| Sigma-Aldrich | SML2648 | Lomibuvir ≥98% (HPLC) | 1026785-55-6 | 25 mg | $545 | 2026-03-19 | Buy |
| ChemScene | CS-0268 | Lomibuvir 99.90% | 1026785-55-6 | 50mg | $630 | 2021-12-16 | Buy |
| ChemScene | CS-0268 | Lomibuvir 99.90% | 1026785-55-6 | 5mg | $120 | 2021-12-16 | Buy |
| ChemScene | CS-0268 | Lomibuvir 99.90% | 1026785-55-6 | 10mg | $210 | 2021-12-16 | Buy |
5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid Chemical Properties,Uses,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
5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hangzhou MolCore BioPharmatech Co.,Ltd. | +86-057181025280; +8617767106207 | sales@molcore.com | China | 49734 | 58 |
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| Aladdin Scientific | tp@aladdinsci.com | United States | 52923 | 58 | |
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| NCE Biomedical Co.,Ltd. | 4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988 | China | 1493 | 55 | |
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| SPIRO PHARMA | eric_feng1954@126.com | China | 316 | 55 | |
| Shanghai Biopharmaleader Co., Ltd. | +86 18721201413 | sales@biopharmaleader.com | China | 1720 | 58 |
