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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The molecular targets of AP-1/NF-κB activation inhibitor 1 are the transcription factors AP-1 (activator protein-1) and NF-κB (nuclear factor kappa-light-chain-enhancer of activated B cells). The compound inhibits AP-1 and NF-κB mediated transcriptional activation. By inhibiting these transcription factors, the compound blocks the expression of downstream genes, including pro-inflammatory cytokines such as IL-2 and IL-8. It does not block basal transcription driven by the β-actin promoter.
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| ln Vitro |
In vitro studies have demonstrated that AP-1/NF-κB activation inhibitor 1 is a potent inhibitor of AP-1 and NF-κB mediated transcriptional activation with an IC50 of 1 μM. It has a similar inhibitory effect on the production of IL-2 and IL-8 levels in stimulated cells. The compound does not block basal transcription driven by the β-actin promoter. These properties make it a valuable tool for studying the role of AP-1 and NF-κB in various cellular processes.
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| ln Vivo |
In vivo activity data for AP-1/NF-κB activation inhibitor 1 as a standalone compound are not extensively reported. The compound is primarily used as a research tool to study the AP-1 and NF-κB signaling pathways in vitro. Its in vivo efficacy would depend on its pharmacokinetic properties and the specific disease model being studied. Further studies are needed to evaluate its potential therapeutic applications.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for AP-1/NF-κB activation inhibitor 1 typically involve studying its interaction with the AP-1 and NF-κB transcription factors. Electrophoretic mobility shift assays (EMSA) can be used to assess the binding of the transcription factors to their DNA consensus sequences in the presence of the inhibitor. Reporter gene assays, such as luciferase assays, are commonly used to measure the transcriptional activity of AP-1 and NF-κB.
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| Cell Assay |
In vitro cell-based assays for AP-1/NF-κB activation inhibitor 1 typically involve treatment of cultured cells with the compound followed by assessment of AP-1 and NF-κB activity. Cells are transfected with reporter constructs containing AP-1 or NF-κB response elements, and the compound's effect on reporter gene expression is measured. Additionally, the production of IL-2 and IL-8, which are downstream targets of these transcription factors, can be measured in stimulated cells.
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| Animal Protocol |
In vivo animal studies for AP-1/NF-κB activation inhibitor 1 are not typically performed, as the compound is primarily used as an in vitro research tool. However, it could potentially be used in animal models of inflammatory diseases to study the role of AP-1 and NF-κB in disease pathogenesis. Further studies are needed to evaluate its in vivo efficacy and pharmacokinetic properties.
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| ADME/Pharmacokinetics |
AP-1/NF-κB activation inhibitor 1 has a molecular formula of C13H11F3N4O4 and a molecular weight of 344.25. The IUPAC name is ethyl 4-[(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate. It has a purity of 100% or 99.74%. It is soluble in DMSO. The compound should be stored as a powder at -20°C for up to 3 years or in solvent at -80°C for up to 2 years.
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| Toxicity/Toxicokinetics |
The toxicity profile of AP-1/NF-κB activation inhibitor 1 is not extensively characterized, as it is primarily used as a research reagent. The compound is intended for research use only and is not approved for therapeutic use in humans. Standard laboratory safety practices, including the use of personal protective equipment, are recommended.
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| References | |
| Additional Infomation |
AP-1/NF-κB activation inhibitor 1 (CAS 188936-12-1) is a potent inhibitor of AP-1 and NF-κB mediated transcriptional activation with an IC50 of 1 μM. It does not block basal transcription driven by the β-actin promoter. The compound has a similar inhibitory effect on the production of IL-2 and IL-8 levels in stimulated cells.
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| Molecular Formula |
C13H11F3N4O4
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|---|---|
| Molecular Weight |
344.2461
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| Exact Mass |
344.073
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| CAS # |
188936-12-1
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| PubChem CID |
44289488
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
24
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| Complexity |
578
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1=NC([H])=C(C(=O)OC([H])([H])C([H])([H])[H])C(=N1)N([H])N1C(C([H])=C(C([H])([H])[H])C1=O)=O)(F)F
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| InChi Key |
JWIIKHRJOUQCQG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H11F3N4O4/c1-3-24-11(23)7-5-17-12(13(14,15)16)18-9(7)19-20-8(21)4-6(2)10(20)22/h4-5H,3H2,1-2H3,(H,17,18,19)
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| Chemical Name |
ethyl 4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate
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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 (~726.22 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.04 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 (6.04 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9049 mL | 14.5243 mL | 29.0487 mL | |
| 5 mM | 0.5810 mL | 2.9049 mL | 5.8097 mL | |
| 10 mM | 0.2905 mL | 1.4524 mL | 2.9049 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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