| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
5Me3F4AP targets voltage-gated potassium (K+) channels, particularly the Shaker (Kv1.2) channel family. It acts as a channel blocker, binding to the channel and inhibiting potassium ion efflux. This mechanism prolongs the duration of action potentials and enhances neurotransmitter release at demyelinated axons, thereby improving nerve impulse conduction. The compound demonstrates comparable binding affinity to K+ channels as the PET tracer 3-fluoro-4-aminopyridine (3F4AP).
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| ln Vitro |
In vitro, 5Me3F4AP exhibits comparable potency to 4AP and the PET tracer 3F4AP. The blocking potency has been evaluated on the voltage-gated Shaker channel (homologous to mammalian Kv1.2) expressed in Xenopus laevis oocytes. It shows a slower enzymatic metabolic rate compared to 3F4AP, being more stable towards oxidation by CYP2E1. Its pKa, logD (lipophilicity), and membrane permeability are comparable to 3F4AP, making it a suitable candidate for PET imaging. It does not have an EC50 for a therapeutic effect.
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| ln Vivo |
In vivo, the 18F-labeled version of 5Me3F4AP ([18F]5Me3F4AP) has been evaluated in mice using PET/CT imaging. The compound effectively crosses the blood-brain barrier and exhibits favorable kinetics for PET imaging, similar to [18F]3F4AP. Its enhanced metabolic stability suggests it could offer better performance in PET imaging studies, particularly in awake human subjects where [18F]3F4AP has shown less metabolic stability. The unlabeled compound itself is not typically used for in vivo therapy but as a reference and PET tracer candidate.
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| Enzyme Assay |
No cell-free receptor binding assays are applicable, as 5Me3F4AP is an ion channel blocker, not a receptor ligand. Its activity is assayed using electrophysiology. The blocking potency of 5Me3F4AP is evaluated on the voltage-gated Shaker channel expressed in Xenopus laevis oocytes. Using a cut-open voltage clamp technique, the oocyte membrane is held at -90 mV, and currents are evoked by depolarizing voltage steps. The compound is added to the bath solution, and the inhibition of peak K+ current is measured and plotted against concentration to determine the IC50.
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| Cell Assay |
No cell-based experiments are standard for assessing 5Me3F4AP's own activity. The compound serves as a chemical reference and can be used to study its effects on excitable cells. For instance, its membrane permeability can be assessed using artificial membranes (PAMPA), and its stability can be evaluated by incubating it with liver microsomes (e.g., human or rat) and measuring the remaining compound over time via LC-MS/MS to determine the metabolic half-life. These assays characterize its properties, not a pharmacological response.
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| Animal Protocol |
For PET imaging studies, the radiolabeled version [18F]5Me3F4AP is used. Naïve mice are anesthetized and injected intravenously with the [18F]5Me3F4AP radiotracer. Mice undergo dynamic PET/CT scans for a period (e.g., 120 minutes) to track the distribution and kinetics of the tracer in the brain. The time-activity curves are analyzed to determine parameters like brain uptake (standardized uptake value, SUV) and washout rates. This protocol is used to validate the tracer's ability to cross the BBB and assess its suitability for neuroimaging.
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| ADME/Pharmacokinetics |
The pharmacokinetics (PK) of 5Me3F4AP are characterized in the context of its development as a PET tracer. In vitro studies show it has a slower enzymatic metabolic rate than 3F4AP and is more stable toward oxidation by CYP2E1. In mice, the 18F-labeled tracer crosses the blood-brain barrier and has comparable brain kinetics to [18F]3F4AP. The slower metabolic rate suggests a potential for improved in vivo stability and longer residence time in the brain, which is advantageous for PET imaging. No formal PK parameters (Cmax, t1/2) have been reported.
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| Toxicity/Toxicokinetics |
Formal toxicity data for 5Me3F4AP are not yet published, as it is primarily a research tool and a PET tracer candidate, not a therapeutic. The related compound 4-aminopyridine (4AP) is known to have a narrow therapeutic window and can cause seizures, dizziness, and confusion at high doses. Therefore, 5Me3F4AP should be handled as a potentially toxic chemical. Standard precautions for laboratory chemicals should be taken: avoid inhalation, skin contact, and ingestion. Always use a fume hood and appropriate PPE (gloves, lab coat, goggles).
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| References | |
| Additional Infomation |
5Me3F4AP is not a clinical drug and has no regulatory approval. It is a research chemical, specifically a voltage-gated potassium channel blocker. Its main application is as a candidate for the next-generation PET tracer for demyelinating diseases. Its key advantages over the first-in-class tracer 3F4AP are its slower metabolic rate and higher stability, which may translate to improved imaging in clinical settings. The 18F-labeled version is used in preclinical PET/CT neuroimaging studies to map K+ channel distribution. The compound is available for research purposes only.
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| Molecular Formula |
C6H7FN2
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|---|---|
| Molecular Weight |
126.13
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| Exact Mass |
126.059
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| CAS # |
13958-85-5
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| PubChem CID |
45116209
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| Appearance |
Solid Powder
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| Density |
1.196 g/cm3
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| Boiling Point |
234.585ºC at 760 mmHg
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| Melting Point |
90℃
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| Flash Point |
95.674ºC
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| LogP |
1.041
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
97.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C([H])=NC([H])=C(C([H])([H])[H])C=1N([H])[H]
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| InChi Key |
OUGVZDCOIWTZBH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H7FN2/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3,(H2,8,9)
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| Chemical Name |
3-fluoro-5-methylpyridin-4-amine
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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: (1). 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 7.9283 mL | 39.6416 mL | 79.2833 mL | |
| 5 mM | 1.5857 mL | 7.9283 mL | 15.8567 mL | |
| 10 mM | 0.7928 mL | 3.9642 mL | 7.9283 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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