| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Depulfavirine targets the HIV-1 reverse transcriptase enzyme. As a nonnucleoside reverse transcriptase inhibitor (NNRTI), it binds to an allosteric site on the reverse transcriptase enzyme, distinct from the active site where nucleoside analogs bind. This binding induces a conformational change that inhibits the enzyme's polymerase activity, thereby preventing the reverse transcription of viral RNA into DNA.
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|---|---|
| ln Vitro |
Depulfavirine is a potent in vitro inhibitor of HIV-1 replication. It inhibits wild-type HIV-1 with an IC50 of 1.1 nM. Importantly, it retains activity against a broad range of NNRTI-resistant clinical isolates, with IC50 values < 100 nM against 92% of these resistant strains. This demonstrates its potent and broad-spectrum activity against both wild-type and drug-resistant HIV-1.
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| ln Vivo |
Specific in vivo data for Depulfavirine is not extensively detailed in the available literature. As a potent NNRTI with activity against resistant strains, it has been evaluated in preclinical studies for its potential in treating HIV-1 infection. Its favorable in vitro profile suggests it would be effective in vivo, but further studies are needed to confirm its pharmacokinetic and pharmacodynamic properties in animal models.
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| Enzyme Assay |
The in vitro antiviral activity of Depulfavirine is assessed using cell-based HIV-1 replication assays. In these assays, susceptible cells (e.g., MT-4 cells or peripheral blood mononuclear cells) are infected with HIV-1 in the presence of various concentrations of the compound. Viral replication is measured by assessing the production of viral p24 antigen or by measuring the cytopathic effect. The IC50 values are calculated from dose-response curves.
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| Cell Assay |
Cell-based assays are central to evaluating Depulfavirine's antiviral activity. Human T-cell lines (such as MT-4 cells) are infected with HIV-1 in the presence of various concentrations of Depulfavirine. After several days of incubation, the extent of viral replication is measured by quantifying the levels of viral p24 antigen in the culture supernatant or by assessing the protection of cells from virus-induced cytopathic effects. The IC50 is determined from dose-response curves.
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| Animal Protocol |
Depulfavirine has been evaluated in animal models of HIV-1 infection, typically using humanized mouse models or other relevant systems. In these studies, the compound is administered to infected animals, and its effects on viral load, CD4+ T-cell counts, and other efficacy endpoints are assessed. However, specific protocols are not detailed in the available literature.
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| ADME/Pharmacokinetics |
Depulfavirine has a molecular weight of 573.22 and a molecular formula of C21H13BrCl2FN3O4S. It appears as a white to off-white solid powder. The compound is soluble in DMSO (approximately 250 mg/mL). Powder should be stored at -20°C for up to 3 years, and in solvent at -80°C for 6 months or -20°C for 1 month. Purity is typically ≥98%.
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| Toxicity/Toxicokinetics |
Depulfavirine is a research compound and its full toxicological profile is not detailed in the available literature. As a potent NNRTI, its safety profile would be expected to be evaluated in preclinical toxicology studies. Standard safety precautions should be followed when handling the compound. The compound is for research use only and not for human therapeutic use.
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| References | |
| Additional Infomation |
Depulfavirine (RO-0335) (CAS#: 867365-76-2) is a novel and potent diphenylether nonnucleoside reverse transcriptase inhibitor (NNRTI). It inhibits wild-type HIV-1 with an IC50 of 1.1 nM and retains activity against 92% of NNRTI-resistant clinical isolates (IC50 < 100 nM). Depulfavirine is a promising candidate for HIV-1 treatment, particularly for drug-resistant infections. It is intended for research use only.
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| Molecular Formula |
C21H13BRCL2FN3O4S
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|---|---|
| Molecular Weight |
573.22
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| Exact Mass |
570.917
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| Elemental Analysis |
C, 44.00; H, 2.29; Br, 13.94; Cl, 12.37; F, 3.31; N, 7.33; O, 11.16; S, 5.59
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| CAS # |
867365-76-2
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| PubChem CID |
11599486
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| Appearance |
White to off-white solid powder
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| LogP |
7.818
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
854
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N#CC1C=C(OC2C(F)=C(CC(NC3C(Cl)=CC(S(N)(=O)=O)=CC=3)=O)C=CC=2Br)C=C(Cl)C=1
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| InChi Key |
SBUUICLVCQQMFP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31)
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| Chemical Name |
2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)-N-(2-chloro-4-sulfamoylphenyl)acetamide
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| Synonyms |
RO0335; RO-0335; RO 0335; depulfavirine
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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: ~250 mg/mL (~436.13 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.63 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 20.8 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: ≥ 2.08 mg/mL (3.63 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 20.8 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 | 1.7445 mL | 8.7227 mL | 17.4453 mL | |
| 5 mM | 0.3489 mL | 1.7445 mL | 3.4891 mL | |
| 10 mM | 0.1745 mL | 0.8723 mL | 1.7445 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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