| Size | Price | Stock | Qty |
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| 1mg |
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| 10mg | |||
| Other Sizes |
| Targets |
HIV-1 integrase inhibitor targets HIV-1 integrase, a 32 kDa protein produced from the C-terminal portion of the Pol gene product. HIV-1 integrase is composed of three structurally independent functional domains: the N-terminal domain (NTD), catalytic core domain (CCD), and C-terminal domain (CTD). The compound functions as an integrase strand transfer inhibitor (INSTI), binding tightly and specifically to the integrase associated with the ends of viral DNA by chelating divalent metal ions (Mg2+) coordinated by the catalytic triad (DDE motif) located in the CCD. This inhibits the strand transfer reaction, blocking viral DNA integration into the host chromosome.
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| ln Vitro |
In vitro assays have demonstrated that HIV-1 integrase inhibitor effectively inhibits HIV-1 integrase strand transfer activity. The compound shows IC50 values of 0.07 uM in the presence of manganese and 0.33 uM in the presence of magnesium. It is selective for HIV-1 integrase strand transfer over HIV-1 integrase 3' DNA processing, with IC50 >70 uM in the presence of either manganese or magnesium. The compound also shows selectivity for wild-type HIV-1 integrase over a double-mutant (F185K/C280S) integrase. In cellular assays, the inhibitor reduces secreted levels of p24, a marker of HIV-1 replication.
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| ln Vivo |
In vivo activity of HIV-1 integrase inhibitor is inferred from its mechanism of action and in vitro potency. By inhibiting HIV-1 integrase strand transfer, the compound effectively blocks viral replication and propagation in infected cells. The compound targets a crucial step in the HIV life cycle-the integration of viral DNA into the host genome-making it a valuable tool for studying HIV replication and for potential therapeutic applications. In vivo efficacy would be expected in animal models of HIV infection, though specific in vivo data for this particular compound are limited.
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| Enzyme Assay |
The in vitro enzyme assay for HIV-1 integrase inhibitor involves measuring the inhibition of integrase strand transfer activity. Recombinant HIV-1 integrase is incubated with a donor DNA substrate (representing the viral DNA end) and a target DNA substrate (representing host DNA) in the presence of varying concentrations of the inhibitor (typically 0.001-100 uM) and divalent metal cofactors (Mn2+ or Mg2+). The strand transfer reaction is allowed to proceed at 37degC for 1-2 hours, after which the reaction products are separated by gel electrophoresis and quantified by phosphorimaging or fluorescence detection. The IC50 is determined by fitting the inhibition data to a dose-response curve.
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| Cell Assay |
In vitro cellular assays for HIV-1 integrase inhibitor are conducted using HIV-infected cell lines or cell lines harboring HIV-1 integrase-dependent reporter systems. Cells are treated with varying concentrations of the compound (typically 0.01-100 uM) for 24-72 hours. HIV-1 replication is assessed by measuring p24 antigen levels in culture supernatants by ELISA. Cell viability is monitored using MTT or CellTiter-Glo assays to ensure that observed antiviral effects are not due to cytotoxicity. The compound's ability to inhibit HIV-1 integrase activity in cells can also be assessed using quantitative PCR to measure the levels of integrated viral DNA versus total viral DNA (Alu-PCR assay).
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| Animal Protocol |
In vivo animal studies for HIV-1 integrase inhibitors typically involve the use of humanized mouse models (e.g., NSG mice transplanted with human hematopoietic stem cells) that are susceptible to HIV-1 infection. After engraftment, mice are infected with HIV-1 and then treated with the test compound by oral gavage or intraperitoneal injection at various doses (typically 1-50 mg/kg) for 2-4 weeks. Viral load in plasma is measured by RT-qPCR, and CD4+ T cell counts are monitored by flow cytometry. Tissues are harvested at the end of the study for analysis of viral DNA integration by Alu-PCR and histopathological examination.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of HIV-1 integrase inhibitor (CAS 544467-07-4) have been characterized in research settings. The compound has a molecular weight of 247.21 and a molecular formula of C11H9N3O4. It is soluble in DMSO and sparingly soluble in DMSO at 1-10 mg/mL. The compound should be stored at -20degC. The compound contains an azide group (N3) which makes it a click chemistry reagent capable of undergoing copper-catalyzed azide-alkyne cycloaddition (CuAAc) reactions with alkyne-containing molecules. Detailed ADME parameters such as half-life, bioavailability, and plasma protein binding are not extensively documented in the available literature.
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| Toxicity/Toxicokinetics |
Toxicology data for HIV-1 integrase inhibitor are not extensively documented in the available literature. As a research compound targeting HIV-1 integrase, standard toxicity screening would include assessment of cytotoxicity in cell lines using MTT or similar assays to determine the selectivity index (ratio of cytotoxic concentration to antiviral IC50). In animal studies, general toxicity parameters including body weight, clinical observations, hematology, clinical chemistry, and histopathology would be monitored. The compound is supplied for research use only and is not intended for human therapeutic use. No specific LD50 values or detailed toxicity profiles have been reported in the available literature.
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| References |
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| Additional Infomation |
HIV-1 integrase inhibitor (CAS 544467-07-4) is an effective anti-HIV compound that targets HIV-1 integrase. It is also known by the synonym 118-D-24 and MA-DKA. The compound's formal name is 4-[3-(azidomethyl)phenyl]-2-hydroxy-4-oxo-2-butenoic acid. It functions as an integrase strand transfer inhibitor (INSTI), a class of drugs that includes clinically approved agents such as raltegravir, elvitegravir, and dolutegravir. The compound's mechanism involves chelating divalent metal ions in the integrase active site, blocking the strand transfer reaction. It is available for research purposes only with purity ≥95%.
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| Molecular Formula |
C11H9N3O4
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| Molecular Weight |
247.20686
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| Exact Mass |
247.059
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| CAS # |
544467-07-4
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| Related CAS # |
LEDGIN6;957890-42-5
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| PubChem CID |
5496124
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
1.658
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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 |
5
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| Heavy Atom Count |
18
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| Complexity |
413
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| Defined Atom Stereocenter Count |
0
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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 (~404.51 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.11 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 (10.11 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 | 4.0451 mL | 20.2257 mL | 40.4514 mL | |
| 5 mM | 0.8090 mL | 4.0451 mL | 8.0903 mL | |
| 10 mM | 0.4045 mL | 2.0226 mL | 4.0451 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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