| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
The specific molecular target of Antiviral agent 56 has not been fully disclosed in available references. However, it is known to modulate viral polymerase and protein activity. HIV replication involves the viral enzymes reverse transcriptase (RT), integrase (IN), and protease (PR). Antiviral agent 56 may act as an inhibitor of one of these critical steps, such as RT (nucleoside or non-nucleoside inhibitor), integrase, or a viral assembly factor. It can also be used as a mechanistic research tool to study these processes.
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| ln Vitro |
Antiviral agent 56 has been reported to have anti-HIV activity. The specific potency is not detailed in the provided references, but it is presumed to inhibit HIV replication in cell-based assays. It is suitable for high-throughput evaluation of candidate antiviral compounds and can be used in antiviral screening platforms. The compound's activity is likely evaluated by measuring its ability to reduce viral replication in infected cell cultures, with EC₅0 values expected in the low micromolar range. No specific IC₅0 values for enzyme inhibition are available.
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| ln Vivo |
There are no reported direct in vivo studies for Antiviral agent 56. Its research utility lies in ex vivo assays and as a chemical probe. It could be used in animal models of HIV infection (e.g., humanized mice) to assess its in vivo efficacy and pharmacokinetics. For example, it could be administered orally or intraperitoneally to infected mice, and viral load and CD4+ T-cell counts would be measured. Such studies are not described in the available literature, suggesting it is primarily a preclinical research compound.
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| Enzyme Assay |
Non-cellular (enzymatic) assays for HIV targets could be used to characterize the mechanism of Antiviral agent 56. For example, if it is suspected to be a reverse transcriptase (RT) inhibitor, a standard RT inhibition assay is performed. Purified recombinant HIV-1 RT (0.5-1 U) is incubated with a homopolymeric template-primer (e.g., poly(rA)-oligo(dT)), dTTP, and varying concentrations of the test compound (0.1-100 uM). The reaction is carried out in a 50 uL volume for 30 minutes at 37degC. The incorporation of radioactive dTTP into the DNA product is measured, and the IC₅0 is calculated. Similar assays exist for integrase and protease.
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| Cell Assay |
Cell-based assays for HIV replication are performed using human T-cell lines (e.g., MT-4 or C8166) or peripheral blood mononuclear cells (PBMCs). Cells are infected with HIV-1 (e.g., laboratory strain IIIB) at an MOI of 0.01-0.1. After 2 hours, unbound virus is washed off, and the cells are seeded in 96-well plates. Antiviral agent 56 is added at concentrations ranging from 0.01-100 uM. After 5-7 days, viral replication is quantified by measuring the p24 antigen concentration in the culture supernatant by ELISA. The EC₅0 (half-maximal effective concentration) is calculated. A parallel cytotoxicity assay (MTT) is performed in uninfected cells to calculate the CC₅0, and the selectivity index (SI = CC₅0/EC₅0) is determined.
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| Animal Protocol |
No animal experiments are reported for Antiviral agent 56. For a hypothetical HIV efficacy study, humanized NOD/SCID/IL-2Rgamma-/- (NSG) mice engrafted with human CD34+ hematopoietic stem cells could be used. Mice are infected with HIV-1 (e.g., 10,000 TCID₅0). After 2 weeks to establish infection, the mice are treated with Antiviral agent 56 (e.g., 10-50 mg/kg, oral or IP, twice daily) for 4 weeks. Viral load in plasma is measured by qRT-PCR, and CD4+ T-cell counts are determined by flow cytometry. This study would assess the in vivo antiretroviral efficacy of the compound.
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| ADME/Pharmacokinetics |
Antiviral agent 56 (MW 351.40, logP ~2.5) has a molecular weight typical for CNS-penetrant small molecule drugs. It is soluble in DMSO (3.33 mg/mL, 9.48 mM) with ultrasonic and gentle warming to 60degC. In vivo, it is likely metabolized by cytochrome P450 enzymes. The compound should be stored as a powder at -20degC for up to 3 years or as a solution at -80degC for up to 6 months. It is an off-white to light yellow solid powder. Pharmacokinetic parameters (half-life, bioavailability) are not available.
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| Toxicity/Toxicokinetics |
Antiviral agent 56 is a research chemical, and its toxicological profile has not been fully established. As with any antiviral research compound, potential side effects could include cytotoxicity in rapidly dividing cells (gastrointestinal, bone marrow). Standard laboratory safety precautions (gloves, lab coat, goggles) should be used. Avoid inhalation of dust. Not for human consumption.
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| References | |
| Additional Infomation |
Antiviral agent 56 (Compound 4, CAS 524055-95-6) is an anti-HIV research compound. Its publication (WO2012079032A2) suggests it was discovered in a research program targeting drug-resistant retroviral infections. It serves as a valuable tool for probing the viral replication cycle and for developing new therapeutic strategies against HIV, especially those resistant to standard-of-care treatments. The compound is for research use only.
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| Molecular Formula |
C19H21N5O2
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|---|---|
| Molecular Weight |
351.40
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| CAS # |
524055-95-6
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
623.6±47.0 °C at 760 mmHg
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| Flash Point |
331.0±29.3 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.704
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| LogP |
2.88
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| SMILES |
O=C1C2=C(CCCC2)N=C(NC2N=C(C)C3C=CC=C(C=3N=2)OCC)N1
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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 : ~3.33 mg/mL (~9.48 mM; with ultrasonication (<60°C))
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8458 mL | 14.2288 mL | 28.4576 mL | |
| 5 mM | 0.5692 mL | 2.8458 mL | 5.6915 mL | |
| 10 mM | 0.2846 mL | 1.4229 mL | 2.8458 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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