| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
NS5B polymerase
ABT-072 targets the HCV NS5B RNA-dependent RNA polymerase, an essential enzyme for the replication of the hepatitis C virus. NS5B catalyzes the synthesis of viral RNA from the RNA template and is a key target for antiviral drug development. ABT-072 is a non-nucleoside inhibitor that binds to an allosteric site on the NS5B polymerase, distinct from the active site where nucleoside inhibitors bind. By binding to this allosteric site, ABT-072 induces conformational changes that inhibit the polymerase activity and block viral RNA replication. The compound exhibits nanomolar potency in vitro against genotype 1a and 1b HCV polymerases. |
|---|---|
| ln Vitro |
ABT-072 is a non-nucleoside inhibitor of NS5B polymerase that exhibits nanomolar potency against hepatitis C virus polymerases of genotypes 1a and 1b in vitro[1].
ABT-072 demonstrates potent in vitro activity against HCV NS5B polymerase. The compound inhibits HCV genotype 1a polymerase with an EC50 of 1 nM and genotype 1b polymerase with an EC50 of 0.3 nM. ABT-072 is a non-nucleoside NS5B polymerase inhibitor with nanomolar potency in vitro against genotype 1a and 1b hepatitis C virus polymerases. The compound's potent antiviral activity against both major HCV genotypes makes it a valuable tool for studying HCV replication and for evaluating non-nucleoside polymerase inhibitors as antiviral agents. Detailed in vitro activity data are available in the primary literature. |
| ln Vivo |
Good PK properties are shown by ABT-072 (5 and/or 30 mg/kg; i.v. or p.o.).
In vitro or oral ABT-072 (2.5 and/or 30 mg/kg) exhibits high oral bioavailability and low plasma clearance[3].
ABT-072 has been evaluated in vivo for its antiviral activity. The compound is orally active and shows good pharmacokinetic properties, low plasma clearance, and high oral bioavailability. In preclinical studies, ABT-072 has been evaluated as a candidate drug for the treatment of hepatitis C virus infection. ABT-072 has been investigated as a potential component of combination therapies for HCV. The compound's oral bioavailability and potent antiviral activity support its utility for studying HCV infection and for evaluating non-nucleoside polymerase inhibitors as therapeutic agents. Detailed in vivo efficacy data are available in the primary literature. |
| Enzyme Assay |
The in vitro enzyme inhibition assay for ABT-072 measures the inhibition of HCV NS5B polymerase activity. Recombinant HCV NS5B polymerase (genotype 1a or 1b) is incubated with varying concentrations of ABT-072 (typically ranging from picomolar to micromolar) in the presence of an RNA template, nucleotides, and a radiolabeled or fluorescent nucleotide. The polymerase reaction is allowed to proceed for a fixed period, and the incorporation of labeled nucleotides into newly synthesized RNA is quantified. EC50 values are determined by fitting dose-response curves to the inhibition data (1 nM for GT1a, 0.3 nM for GT1b). The compound is dissolved in DMSO and diluted in assay buffer. Appropriate positive controls and negative controls are included in each assay run.
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| Cell Assay |
The in vitro cellular assay for ABT-072 measures the inhibition of HCV replication in cell culture. HCV replicon cells (genotype 1a or 1b) are cultured in appropriate medium and treated with varying concentrations of ABT-072 or vehicle control (DMSO) for specified time points (typically 48-72 hours). HCV RNA levels are measured by qRT-PCR or by using a reporter gene (e.g., luciferase) incorporated into the replicon. The inhibition of HCV RNA replication is quantified, and EC50 values are determined by fitting dose-response curves. Cytotoxicity is assessed in parallel using cell viability assays to ensure that antiviral effects are not due to compound toxicity. Appropriate positive controls (known HCV inhibitors) and negative controls are included in each assay run.
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| Animal Protocol |
Animal Model: Rats[3]
Dosage: 5 and/or 30 mg/kg (Pharmacokinetic Analysis) Administration: I.v. or p.o. Result: Showed good PK properties. In vivo animal experiments with ABT-072 are not extensively described in publicly available sources. Based on its oral bioavailability and potent antiviral activity, potential in vivo studies would likely use mouse models of HCV infection (e.g., HCV transgenic mice or humanized liver mouse models). ABT-072 would be administered orally at various doses. Viral load in serum or liver tissues would be measured by qRT-PCR to assess antiviral efficacy. Pharmacokinetic parameters would be assessed by measuring compound concentrations in plasma. The compound's antiviral efficacy would be evaluated by comparing viral load in treated versus control groups. Detailed experimental protocols are described in the primary literature. |
| ADME/Pharmacokinetics |
Detailed pharmacokinetic (PK) parameters for ABT-072 are partially documented. The compound shows good PK properties, low plasma clearance, and high oral bioavailability. ABT-072 has a molecular weight of 469.55 and a chemical formula of C24H27N3O5S. The compound is soluble in DMSO for formulation purposes. For in vivo oral administration, ABT-072 is typically formulated using appropriate vehicles to ensure adequate solubility and stability. The compound should be stored under conditions recommended by the manufacturer to maintain stability and prevent degradation. Detailed PK parameters including half-life, clearance, volume of distribution, and maximum concentration (Cmax) are available in the primary literature and should be consulted for specific experimental planning.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for ABT-072 are not extensively documented in publicly available sources. As a research-grade compound, ABT-072 is intended for laboratory research purposes only and is not approved for human therapeutic use. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and working in a well-ventilated area. The compound should be stored according to the manufacturer's recommendations to maintain stability and prevent degradation. Comprehensive toxicological profiling (e.g., LD50, maximum tolerated dose, organ-specific toxicity) is not available from the current search results and would require consultation of the primary literature or safety data sheets.
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| References |
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| Additional Infomation |
ABT-072 is being investigated in the clinical trial NCT00890318 (a study evaluating the safety, tolerability and pharmacokinetic characteristics of multiple doses of ABT-072 for the treatment of hepatitis C in healthy adult subjects).
ABT-072 is a research compound developed for studying HCV replication and for evaluating non-nucleoside NS5B polymerase inhibitors as antiviral agents. The compound is a potent, orally active non-nucleoside HCV NS5B polymerase inhibitor with EC50 values of 1 nM for genotype 1a and 0.3 nM for genotype 1b. ABT-072 shows good PK properties, low plasma clearance, and high oral bioavailability. The compound was evaluated as a candidate drug for the treatment of hepatitis C virus infection. ABT-072 is not currently in clinical trials nor approved for therapeutic use; it remains an investigational tool compound for preclinical antiviral research. ABT-072 is available from various chemical suppliers for research purposes. |
| Molecular Formula |
C24H27N3O5S
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|---|---|
| Molecular Weight |
469.553284883499
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| Exact Mass |
469.167
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| Elemental Analysis |
C, 61.39; H, 5.80; N, 8.95; O, 17.04; S, 6.83
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| CAS # |
1132936-00-5
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| Related CAS # |
ABT-072 potassium trihydrate;1132940-31-8
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| PubChem CID |
57775240
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.625
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| LogP |
3.64
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
33
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| Complexity |
879
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CS(=O)(NC1=CC=C(/C=C/C2=CC(N(C(N3)=O)C=CC3=O)=CC(C(C)(C)C)=C2OC)C=C1)=O
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| InChi Key |
XMZSTQYSBYEENY-RMKNXTFCSA-N
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| InChi Code |
InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+
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| Chemical Name |
(E)-N-(4-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxystyryl)phenyl)methanesulfonamide
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| Synonyms |
ABT-072; ABT 072; ABT072.
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~80 mg/mL (~170.38 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4 mg/mL (8.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 40.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 4 mg/mL (8.52 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 40.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: 4 mg/mL (8.52 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 4 mg/mL (8.52 mM) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1297 mL | 10.6485 mL | 21.2970 mL | |
| 5 mM | 0.4259 mL | 2.1297 mL | 4.2594 mL | |
| 10 mM | 0.2130 mL | 1.0648 mL | 2.1297 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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