| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
Trovirdine targets the HIV-1 reverse transcriptase (RT) enzyme. As a non-nucleoside reverse transcriptase inhibitor (NNRTI), it binds to an allosteric site on the enzyme, distinct from the active site, inducing a conformational change that inhibits its polymerase activity. This prevents the reverse transcription of viral RNA into DNA, a critical step in the HIV replication cycle. The compound's activity is specific to HIV-1, inhibiting the enzyme when employing heteropolymeric primer/template and dGTP as substrate.
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| ln Vitro |
In vitro, Trovirdine exhibits significant bioactivity against HIV-1, demonstrating potent inhibition of both wild-type and certain mutant strains of the virus. It is a potent inhibitor of HIV-1 reverse transcriptase with an IC50 of 7 nM. The compound's mechanism of action is well-characterized, and it has shown significant in vitro activity. Its activity is typically assessed in reverse transcriptase inhibition assays, where the enzyme's ability to synthesize DNA from an RNA template is measured in the presence of the inhibitor.
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| ln Vivo |
In vivo, Trovirdine was developed as an orally active non-nucleoside reverse transcriptase inhibitor for the treatment of HIV/AIDS. Its development in the 1990s suggests it was intended for clinical use. However, recent literature indicates that no further development has been reported, and it is currently a research compound. The compound is used in antiviral research to study reverse transcriptase catalytic blocking and resistance mechanisms.
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| Enzyme Assay |
For non-cellular enzyme/receptor binding studies, the activity of Trovirdine is evaluated using HIV-1 reverse transcriptase enzyme inhibition assays. Purified HIV-1 RT is incubated with a heteropolymeric primer/template (oligo-DNA/ribosomal RNA), dGTP substrate, and varying concentrations of the inhibitor. The enzyme's activity is measured by quantifying the incorporation of nucleotides, and the IC50 is determined from the dose-response curve, which is 7 nM for this compound.
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| Cell Assay |
For in vitro cellular experiments, Trovirdine is tested against HIV-1 infected cell cultures. Cells are infected with the virus and treated with varying concentrations of the compound. Viral replication is assessed by measuring the production of viral proteins or the amount of viral RNA in the culture supernatant. The compound's ability to inhibit HIV-1 replication is confirmed by its potent activity against both wild-type and certain mutant strains. Cytotoxicity is also assessed in parallel to determine the selectivity index.
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| Animal Protocol |
In vivo animal studies for Trovirdine were likely conducted as part of its preclinical development for HIV/AIDS treatment. In these studies, animal models of HIV infection would have been used to evaluate the compound's efficacy, pharmacokinetics, and safety. However, recent literature indicates that no further development has been reported. The compound is currently used in research to study reverse transcriptase inhibition and resistance mechanisms.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Trovirdine are not extensively detailed in the provided sources. As a small molecule with a molecular weight of 337.24, it is likely orally bioavailable. It is a solid powder soluble in DMSO and should be stored in a cool, dry place at 0-4°C for short-term storage or -20°C for long-term storage. The compound has a shelf life of 2 years and is stable under these conditions.
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| Toxicity/Toxicokinetics |
Toxicity data for Trovirdine is not extensively detailed in the provided literature. As a non-nucleoside reverse transcriptase inhibitor, its safety profile would have been a key part of its development. The compound is a thiourea derivative and standard safety precautions should be followed when handling it. It is intended for research use only and is not for human therapeutic use.
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| References |
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| Additional Infomation |
Trovirdine is a thiourea nonnucleoside reverse transcriptase inhibitor.
Trovirdine is a thiourea non-nucleoside reverse transcriptase inhibitor (NNRTI) with a molecular formula of C13H13BrN4S and a molecular weight of 337.24. It is a potent inhibitor of HIV-1 reverse transcriptase with an IC50 of 7 nM. Developed in the 1990s for HIV/AIDS treatment, it is now a research compound used to study reverse transcriptase inhibition and resistance mechanisms. It is intended for research use only and not for human therapeutic applications. |
| Molecular Formula |
C13H13BRN4S
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|---|---|
| Molecular Weight |
337.24
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| Exact Mass |
336.004
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| CAS # |
149488-17-5
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| Related CAS # |
148311-89-1 (HCl);
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| PubChem CID |
3000870
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| Appearance |
White to off-white solid powder
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| Density |
1.539g/cm3
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| Boiling Point |
450.6ºC at 760mmHg
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| Vapour Pressure |
2.61E-08mmHg at 25°C
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| Index of Refraction |
1.696
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| LogP |
3.232
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
19
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| Complexity |
290
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
HOCFDYZWQYGULA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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| Chemical Name |
1-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethyl)thiourea
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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 : 100 mg/mL (296.52 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.41 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 25.0 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: ≥ 2.5 mg/mL (7.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9652 mL | 14.8262 mL | 29.6525 mL | |
| 5 mM | 0.5930 mL | 2.9652 mL | 5.9305 mL | |
| 10 mM | 0.2965 mL | 1.4826 mL | 2.9652 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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