| Size | Price | Stock | Qty |
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| 1mg |
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| Targets |
Helioxanthin derivative 5-4-2 targets hepatitis B virus (HBV) replication, although the specific molecular target has not been fully elucidated. As a synthetic analogue of helioxanthin, the compound inhibits HBV DNA replication. The compound shows activity against both wild-type HBV and lamivudine-resistant HBV mutants, including the L526M/M550V double mutant strain. Its mechanism of action appears to involve inhibition of viral replication at the level of DNA synthesis.
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| ln Vitro |
In vitro, Helioxanthin derivative 5-4-2 demonstrates potent anti-HBV activity in HepG2.2.15 cells, with EC50 values of 1 and 0.08 microM. The compound shows a 12.5-fold improvement in potency against wild-type HBV DNA replication compared to its parent compound, helioxanthin. Helioxanthin derivative 5-4-2 also exhibits activity against lamivudine-resistant HBV strains. These in vitro data establish the compound as a highly potent anti-HBV agent with potential for overcoming drug resistance.
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| ln Vivo |
Detailed in vivo activity data for Helioxanthin derivative 5-4-2 are not extensively documented in publicly available literature. As a potent anti-HBV agent with activity against both wild-type and lamivudine-resistant HBV, the compound is being investigated for its therapeutic potential in chronic hepatitis B infection. Its 12.5-fold improvement in potency compared to helioxanthin suggests potential for enhanced in vivo efficacy. Further in vivo studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
Helioxanthin derivative 5-4-2 is not typically used in standard receptor binding assays. Its antiviral activity is assessed through cell-based assays measuring HBV replication. In these assays, HepG2.2.15 cells, which stably replicate HBV, are treated with the compound at varying concentrations. HBV DNA replication is assessed by measuring intracellular HBV DNA levels using Southern blot analysis or quantitative PCR. Extracellular HBV DNA and HBV surface antigen (HBsAg) levels in the culture supernatant may also be measured by ELISA or qPCR. EC50 values are calculated from concentration-response curves.
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| Cell Assay |
Cellular assays for Helioxanthin derivative 5-4-2 are performed using HepG2.2.15 cells, which are stably transfected with HBV DNA and support viral replication. Cells are cultured in appropriate media and treated with Helioxanthin derivative 5-4-2 at varying concentrations for defined time periods. Antiviral activity is assessed by measuring intracellular and extracellular HBV DNA levels by quantitative PCR. HBV surface antigen (HBsAg) and HBV e antigen (HBeAg) levels in the culture supernatant are measured by ELISA. Cytotoxicity is assessed using standard assays such as MTT or CellTiter-Glo to determine CC50 values. The compound's selectivity index is calculated from the ratio of CC50 to EC50.
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| Animal Protocol |
In vivo studies with Helioxanthin derivative 5-4-2 are conducted in animal models of HBV infection, such as HBV transgenic mice or humanized liver mouse models. The compound is administered via appropriate routes (e.g., oral or intraperitoneal) at defined doses and schedules. HBV DNA levels in serum and liver tissues are measured by quantitative PCR. Liver histology is assessed to evaluate the compound's effects on HBV-associated liver pathology. Pharmacokinetic parameters are determined from plasma samples collected at various time points.
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| ADME/Pharmacokinetics |
Helioxanthin derivative 5-4-2 has a molecular weight of 377.4 and a molecular formula of C20H15NO7. The compound is an analogue of helioxanthin. Detailed pharmacokinetic data for Helioxanthin derivative 5-4-2 are not extensively documented in publicly available literature. The compound is soluble in DMSO. It should be stored at -20degC. The compound has a purity of ≥98%.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for Helioxanthin derivative 5-4-2 are not extensively documented in publicly available sources. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and adherence to institutional biosafety and chemical hygiene guidelines.
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| References | |
| Additional Infomation |
Helioxanthin derivative 5-4-2 is a synthetic analogue of helioxanthin that exhibits significant antiviral activity against hepatitis B virus (HBV). It demonstrates a 12.5-fold improvement in potency against wild-type HBV DNA replication compared to helioxanthin and shows activity against lamivudine-resistant HBV mutants. Helioxanthin derivative 5-4-2 has potent anti-HBV activities in HepG2.2.15 cells with EC50 values of 1 and 0.08 microM. The compound is for research purposes only.
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| Molecular Formula |
C20H13NO5
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|---|---|
| Molecular Weight |
347.3209
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| Exact Mass |
347.079
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| CAS # |
203935-39-1
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| Related CAS # |
Helioxanthin;18920-47-3
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| PubChem CID |
5273792
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| Appearance |
White to off-white solid powder
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| LogP |
3.536
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
26
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| Complexity |
585
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C2=C(C=C3C=CC4=C(C3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)N1
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| InChi Key |
UVKXTQRJKHBAMT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H13NO5/c22-20-12-5-10-2-4-15-19(26-9-24-15)18(10)17(13(12)7-21-20)11-1-3-14-16(6-11)25-8-23-14/h1-6H,7-9H2,(H,21,22)
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| Chemical Name |
10-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
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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 : ~50 mg/mL (~143.96 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.20 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8792 mL | 14.3959 mL | 28.7919 mL | |
| 5 mM | 0.5758 mL | 2.8792 mL | 5.7584 mL | |
| 10 mM | 0.2879 mL | 1.4396 mL | 2.8792 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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