| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
CL-218872 targets the GABAA receptor, specifically the α1 subunit-containing subtype. It acts as a benzodiazepine agonist with a Ki of 130 nM for α1-containing receptors. The compound shows selectivity for α1-containing GABAA receptors over α2, α3, α4, α5, and α6 subunit-containing receptors, with Ki values of 1820, 1530, >10000, 490, and >10000 nM, respectively. GABAA receptors are the primary mediators of inhibitory neurotransmission in the brain.
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| ln Vitro |
CL-218872 is a selective, orally bioactive benzodiazepine agonist at the α1 subunit-containing GABAA receptor with a Ki of 130 nM. It selectively binds to α1β1γ2 subunit-containing GABAA receptors over α2β1γ2 or α3β1γ2 subunit-containing receptors. The compound exerts anxiolytic and anticonvulsant effects in vivo. Its selectivity for α1-containing receptors suggests a reduced sedative profile compared to non-selective benzodiazepines.
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| ln Vivo |
In vivo, CL-218872 exerts anxiolytic (anti-anxiety) and anticonvulsant (antiepileptic/antiseizure) effects. As an orally bioactive compound, it can be administered via the oral route. Its selectivity for α1-containing GABAA receptors suggests it may have a favorable side-effect profile compared to non-selective benzodiazepines. The compound's in vivo efficacy has been demonstrated in animal models of anxiety and seizures. Specific dosing regimens and efficacy data are determined from preclinical studies.
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| Enzyme Assay |
The in vitro receptor binding assay for CL-218872 typically involves measuring its affinity for GABAA receptor subtypes using radioligand binding. Membrane preparations from cells expressing various GABAA receptor subunit combinations are incubated with varying concentrations of CL-218872 (typically 0.001-100 µM) and a radiolabeled benzodiazepine ligand such as [3H]flunitrazepam. The binding affinity (Ki) is determined by competition binding analysis. The compound is dissolved in DMSO and diluted in assay buffer.
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| Cell Assay |
In vitro cellular assays for CL-218872 typically involve treating cells expressing GABAA receptors with the compound at concentrations ranging from 0.001 to 10 µM. Receptor activation is assessed by measuring chloride influx using fluorescent dyes or patch-clamp electrophysiology. The compound's agonist activity is confirmed by its ability to potentiate GABA-induced currents. The compound is dissolved in DMSO and diluted in cell culture medium or recording buffer.
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| Animal Protocol |
In vivo animal studies for CL-218872 typically involve administration to mice or rats via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Anxiolytic effects are assessed using behavioral tests such as the elevated plus maze or light-dark box. Anticonvulsant activity is assessed using models such as pentylenetetrazol (PTZ)-induced seizures or maximal electroshock seizure (MES) tests. The compound is formulated in appropriate vehicles for oral administration.
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| ADME/Pharmacokinetics |
CL-218872 has a molecular weight of 278.23 g/mol and formula C13H9F3N4. It is soluble in DMSO (~16.67 mg/mL, ~59.91 mM). Recommended storage is powder at -20°C for 3 years and at 4°C for 2 years; in solvent at -80°C for 6 months and at -20°C for 1 month. The compound requires protection from light. Purity is ≥98%. Detailed PK parameters would require experimental determination.
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| Toxicity/Toxicokinetics |
CL-218872 is intended for research use only and is not approved for human therapeutic applications. As a benzodiazepine agonist, it may cause sedation, dependence, and other central nervous system effects at high doses. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects. Appropriate safety precautions should be taken when handling.
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| References | |
| Additional Infomation |
3-Methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is a pyridazine compound, belonging to the cyclic compound class.
CL-218872 (CAS 66548-69-4) is a selective, orally bioactive benzodiazepine agonist at the α1 subunit-containing GABAA receptor with a Ki of 130 nM. It has a molecular weight of 278.23 g/mol and formula C13H9F3N4. The compound exerts anxiolytic and anticonvulsant effects in vivo. It is also known as 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine and CI 218872. CL-218872 is not approved for clinical use. |
| Molecular Formula |
C13H9N4F3
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|---|---|
| Molecular Weight |
278.23256
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| Exact Mass |
278.078
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| CAS # |
66548-69-4
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| PubChem CID |
107950
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| Appearance |
Light yellow to brown solid powder
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| Density |
1.43g/cm3
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| Index of Refraction |
1.615
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| LogP |
3.118
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
20
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| Complexity |
349
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
GUOQUXNJZHGPQF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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| Chemical Name |
3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
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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 : ~16.67 mg/mL (~59.91 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 | 3.5941 mL | 17.9707 mL | 35.9415 mL | |
| 5 mM | 0.7188 mL | 3.5941 mL | 7.1883 mL | |
| 10 mM | 0.3594 mL | 1.7971 mL | 3.5941 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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