| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| Targets |
HIV-1 inhibitor-48 targets the reverse transcriptase enzyme of HIV-1. As a non-nucleoside 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 conformational changes that inhibit the enzymatic activity of reverse transcriptase, thereby blocking viral RNA-dependent DNA polymerization and HIV-1 replication.
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| ln Vitro |
HIV-1 inhibitor-48 demonstrates potent in vitro inhibitory activity against multiple HIV-1 strains. Reported IC50 values range from 0.0023 μM to >100 μM, indicating varying potency against different viral strains. The compound is a novel non-nucleoside reverse transcriptase inhibitor (NNRTI) with anti-HIV-1 activity. Its activity is typically assessed in cell-based antiviral assays using HIV-1-infected cell lines.
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| ln Vivo |
In vivo activity of HIV-1 inhibitor-48 has not been extensively documented. As an NNRTI with potent in vitro activity against HIV-1, it has potential for in vivo efficacy in animal models of HIV infection. However, further in vivo studies are needed to evaluate its pharmacokinetic properties, antiviral efficacy, and safety profile.
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| Enzyme Assay |
In vitro enzyme assays for HIV-1 inhibitor-48 involve measuring its inhibition of HIV-1 reverse transcriptase activity. The assay typically uses purified recombinant HIV-1 reverse transcriptase and measures the incorporation of radiolabeled nucleotides into a DNA primer-template in the presence of the compound. IC50 values are determined from dose-response curves generated in these enzymatic assays.
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| Cell Assay |
In vitro cellular assays for HIV-1 inhibitor-48 involve treating HIV-1-infected cell lines (e.g., MT-4 cells, CEM cells) with varying concentrations of the compound. Antiviral activity is assessed by measuring inhibition of HIV-1 replication using assays that detect viral RNA, viral proteins, or cytopathic effects. IC50 values are determined from dose-response curves.
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| Animal Protocol |
In vivo animal experiments for HIV-1 inhibitor-48 are not extensively documented. If used in animal models, typical protocols would involve administering the compound to HIV-infected humanized mouse models or other appropriate animal models and evaluating efficacy by measuring viral load in plasma or tissues. Further studies are needed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for HIV-1 inhibitor-48 are limited. The compound is soluble in DMSO and should be stored at 4°C with protection from light. Its absorption, distribution, metabolism, and excretion properties have not been fully characterized. Further pharmacokinetic studies are needed to determine its bioavailability and half-life.
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| Toxicity/Toxicokinetics |
Toxicological data for HIV-1 inhibitor-48 are limited. As a research compound, comprehensive toxicological studies have not been reported. The compound is intended for research use only and is not for human therapeutic application. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
HIV-1 inhibitor-48 (CAS#: 374067-85-3) has the molecular formula C19H16BrN5 and a molecular weight of 394.27. The compound is a novel non-nucleoside reverse transcriptase inhibitor (NNRTI) with anti-HIV-1 activity. It is used in HIV-1 antiviral research.
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| Molecular Formula |
C19H16BRN5
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|---|---|
| Molecular Weight |
394.27
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| Exact Mass |
393.059
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| CAS # |
374067-85-3
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| PubChem CID |
488765
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| Appearance |
White to off-white solid powder
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| Density |
1.48g/cm3
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| Boiling Point |
578.3ºC at 760mmHg
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| Flash Point |
303.5ºC
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| Index of Refraction |
1.684
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| LogP |
5.36
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
458
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
MKODFMNTDYAPSG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H16BrN5/c1-12-9-15(20)10-13(2)18(12)24-17-7-8-22-19(25-17)23-16-5-3-14(11-21)4-6-16/h3-10H,1-2H3,(H2,22,23,24,25)
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| Chemical Name |
4-[[4-(4-bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : 125 mg/mL (317.04 mM)
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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 | 2.5363 mL | 12.6817 mL | 25.3633 mL | |
| 5 mM | 0.5073 mL | 2.5363 mL | 5.0727 mL | |
| 10 mM | 0.2536 mL | 1.2682 mL | 2.5363 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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