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| Targets |
The primary molecular target of N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea has not been fully elucidated in the literature, but it is commonly referred to as a kinase pathway modulator. Based on its anticonvulsant profile, the compound is believed to interact with ion channels or neurotransmitter receptors involved in seizure propagation, although the exact binding sites remain under investigation. The diarylurea scaffold is known to interact with various protein kinases, suggesting that the compound may exert its effects through modulation of kinase-mediated signaling pathways that regulate neuronal excitability. Further biochemical studies, including radioligand binding assays and kinase profiling, are needed to definitively identify the specific molecular targets responsible for its anticonvulsant activity. The compound's selectivity profile across different kinase families and ion channels remains an active area of research.
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| ln Vitro |
In vitro characterization of N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea has focused primarily on its anticonvulsant properties using standard electrophysiological and neuropharmacological assays. The compound has been evaluated in cell-based models of neuronal hyperexcitability, although specific in vitro activity data (such as IC₅₀ values against specific targets) are not extensively documented in the public literature. As a kinase pathway modulator, the compound may exhibit inhibitory effects on certain kinase activities in cell-free or cell-based kinase assays. Its in vitro activity profile suggests potential for modulating intracellular signaling cascades that contribute to seizure generation. Further detailed in vitro studies, including patch-clamp recordings on neuronal ion channels and kinase inhibition panels, would be required to fully characterize its potency and efficacy against specific molecular targets.
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| ln Vivo |
In preliminary tests, the chemical exhibited anticonvulsant action at a dose of 30 mg/kg; ataxia did not manifest until a dose of 300 mg/kg. Four hours after treatment, the 30 mg/kg 37 activity persisted. The substance prevented mice from experiencing clonic seizures brought on by the convulsant pentylenetetrazole, but it proved ineffective against seizures brought on by maximum electric shocks. Based on their overall pharmacological profile, the substances might be helpful in treating partial seizures and generalized tonic-clonic seizures. Choose substances to test in clinical trials [1].
In vivo, N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea has demonstrated significant anticonvulsant activity in animal models. In initial tests, the compound exhibited anticonvulsant activity at a dose of 30 mg/kg. Importantly, no signs of ataxia were observed up to a dose of 300 mg/kg, indicating a favorable therapeutic window with respect to motor side effects. The anticonvulsant activity at 30 mg/kg persisted for at least four hours post-administration, suggesting a relatively prolonged duration of action. The compound was found to be effective against maximal electroshock (MES)-induced seizures but did not protect mice from pentylenetetrazol (PTZ)-induced clonic seizures. This profile indicates that the compound may be particularly effective against generalized tonic-clonic and partial seizures, with a mechanism distinct from that of typical GABAergic anticonvulsants. |
| Enzyme Assay |
For in vitro enzyme/receptor binding studies, N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea can be evaluated using radioligand binding assays to identify its molecular targets. Membrane preparations from cells expressing candidate receptors or ion channels are incubated with a radiolabeled ligand specific to the target of interest, along with varying concentrations of the test compound. Displacement of the radioligand is measured to determine binding affinity (Ki or IC₅₀). For kinase pathway modulation studies, cell-free kinase assays are performed using purified kinase enzymes and appropriate peptide substrates in the presence of ATP. The compound is incubated with the kinase reaction mixture, and phosphorylation of the substrate is measured using radioactive (³³P-ATP) or fluorescence-based detection methods. Inhibition curves are generated to determine the IC₅₀ values against specific kinases.
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| Cell Assay |
For in vitro cell-based assays, neuronal cell lines or primary neuronal cultures are utilized to evaluate the anticonvulsant activity of N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea. Cells are cultured in appropriate media and treated with the compound at various concentrations (typically ranging from 0.1 to 100 μM) for defined periods. Neuronal hyperexcitability can be induced using chemical convulsants such as pentylenetetrazol (PTZ) or by electrical stimulation in multi-electrode array systems. The protective effects of the compound are assessed by measuring changes in neuronal firing rates, intracellular calcium levels, or cell viability. For kinase modulation studies, cells are treated with the compound and lysed, followed by Western blotting analysis of phosphorylated kinase substrates to assess pathway inhibition. Cell viability is measured using MTT or CCK-8 assays to evaluate cytotoxicity.
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| Animal Protocol |
For in vivo animal studies, the anticonvulsant activity of N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea is evaluated using standard rodent seizure models. In the maximal electroshock (MES) test, mice or rats receive an electric shock (typically 50 mA, 60 Hz, 0.2 sec) via corneal or auricular electrodes, and the compound is administered orally or intraperitoneally at various doses (e.g., 10-300 mg/kg) prior to the shock. Protection against hindlimb tonic extension is scored as anticonvulsant activity. In the pentylenetetrazol (PTZ) test, animals are injected with PTZ (85 mg/kg, s.c.) to induce clonic seizures, and the compound's ability to prevent seizure onset is evaluated. The duration of action is assessed by administering the compound at different time intervals (e.g., 0.5, 1, 2, 4 hours) before seizure induction. Ataxia and other motor side effects are evaluated using the rotarod test.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea have not been extensively characterized in the public literature. As a small-molecule compound with a molecular weight of 261.71 and moderate lipophilicity, it is expected to have reasonable oral bioavailability and blood-brain barrier penetration, consistent with its in vivo anticonvulsant activity. The compound shows good solubility in DMSO (120 mg/mL), facilitating formulation for both in vitro and in vivo studies. For in vivo administration, a formulation of 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline can be used to achieve a concentration of 4 mg/mL. The prolonged anticonvulsant effect observed at 4 hours post-dose suggests a reasonable half-life in rodents. Detailed pharmacokinetic parameters such as Cmax, Tmax, half-life, and bioavailability would require dedicated PK studies.
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| Toxicity/Toxicokinetics |
Toxicological data for N-(2-Chloro-6-methylphenyl)-N'-4-pyridinylurea indicate a favorable safety profile in preclinical studies. The compound showed no signs of ataxia at doses up to 300 mg/kg, suggesting a wide margin between the effective dose (30 mg/kg) and the dose that produces motor side effects. This therapeutic index is encouraging for its potential development as an anticonvulsant agent. No significant acute toxicity has been reported at the doses tested in animal models. However, comprehensive toxicological evaluations, including repeated-dose toxicity studies, genotoxicity assays, and cardiovascular safety pharmacology assessments, have not been publicly documented. As with any investigational compound, standard safety precautions should be observed during handling, and further toxicological studies would be required for clinical development.
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| References | |
| Additional Infomation |
This compound is primarily used as a research tool in anticonvulsant drug discovery. The overall pharmacological profile suggests that this compound may have therapeutic value in the treatment of generalized tonic-clonic and partial seizures. It is commercially available from various research chemical suppliers for laboratory use only and is not approved for human therapeutic use. The compound's distinct anticonvulsant profile—effective against MES-induced seizures but not PTZ-induced seizures—suggests a mechanism of action that may involve voltage-gated sodium channels or other targets distinct from GABAergic modulation. Further structure-activity relationship studies around the diarylurea scaffold may yield additional analogs with improved potency and selectivity. The compound serves as a valuable chemical probe for studying the molecular mechanisms underlying seizure generation and for identifying novel targets for epilepsy therapy.
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| Molecular Formula |
C13H12CLN3O
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|---|---|
| Molecular Weight |
261.706881523132
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| Exact Mass |
261.067
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| CAS # |
97627-24-2
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| PubChem CID |
130178
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| Appearance |
White to off-white solid powder
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| LogP |
3.122
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
18
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| Complexity |
281
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZSBWDKCIIZYQIR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H12ClN3O/c1-9-3-2-4-11(14)12(9)17-13(18)16-10-5-7-15-8-6-10/h2-8H,1H3,(H2,15,16,17,18)
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| Chemical Name |
1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea
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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 : ~125 mg/mL (~477.63 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.95 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 (7.95 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 (7.95 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 | 3.8210 mL | 19.1051 mL | 38.2102 mL | |
| 5 mM | 0.7642 mL | 3.8210 mL | 7.6420 mL | |
| 10 mM | 0.3821 mL | 1.9105 mL | 3.8210 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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