| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
The primary target of tKIM is the TREK-1 potassium channel, a member of the two-pore domain potassium (K2P) channel family. tKIM binds to the pocket of the intermediate (IM) state of TREK-1, which is distinct from the binding site of common inhibitors that bind to channels in the inactive state. This unique binding mode suggests that tKIM is an allosteric inhibitor. With an IC50 of 2.96 μM, tKIM is a potent inhibitor of TREK-1 and serves as a valuable tool for studying the structure and function of this channel.
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| ln Vitro |
In vitro, tKIM inhibits TREK-1 channel activity with an IC50 of 2.96 μM. The compound binds to the pocket of the intermediate (IM) state of TREK-1. This unique binding mode distinguishes tKIM from other TREK-1 inhibitors. tKIM is typically used in electrophysiological studies to examine channel function and is a valuable tool for studying the role of TREK-1 in neuronal excitability. It is soluble in DMSO at 30 mg/mL (80.68 mM) with sonication and is available with a purity of 99.47%.
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| ln Vivo |
In vivo, tKIM has potential applications in the study of neurological disorders where TREK-1 channels play a role. However, detailed in vivo efficacy and safety data are not extensively reported in the available literature, and its use is primarily limited to preclinical research settings. The identification of an allosteric ligand-binding site and a new mechanistic inhibitor for TREK-1 suggests that intermediate states of ion channels may be promising druggable targets for use in discovering allosteric modulators.
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| Enzyme Assay |
In vitro assays for tKIM typically involve measuring its inhibition of TREK-1 channel activity using electrophysiological techniques such as patch-clamp recording in cell lines expressing recombinant TREK-1 channels. The compound is applied to the cells at varying concentrations (typically 0.1-100 µM), and the resulting inhibition of potassium current is measured. The IC50 value of 2.96 μM is determined by fitting concentration-response curves. The unique binding mechanism of tKIM to the intermediate state of TREK-1 can be studied using structural biology techniques such as X-ray crystallography or cryo-electron microscopy.
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| Cell Assay |
Cellular assays for tKIM typically use cell lines expressing recombinant TREK-1 channels, such as CHO or HEK293 cells. The compound is applied to the cells, and its effects on channel activity are assessed using electrophysiological techniques such as patch-clamp recording. Fluorescent-based membrane potential assays using voltage-sensitive dyes can also be used for higher-throughput screening of channel activity. Cells are treated with tKIM at various concentrations (e.g., 0.1-100 µM), and the changes in membrane potential are measured. The IC50 for channel inhibition is determined from the concentration-response data.
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| Animal Protocol |
In vivo animal studies for tKIM would likely involve the administration of the compound to rodent models to study its effects on neuronal excitability and neurological function. The compound could be administered via intraperitoneal injection or oral gavage, depending on its bioavailability. Endpoints would depend on the specific research question and could include behavioral tests, electrophysiological recordings, or measurements of physiological parameters. However, specific in vivo study protocols for tKIM are not detailed in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for tKIM are not extensively reported in the available literature. The compound has a molecular weight of 371.84 g/mol and is soluble in DMSO at 30 mg/mL. It is a white solid with a purity of 99.47%. For research purposes, the compound is typically stored as a powder at -20°C for up to 3 years or in solution at -80°C for up to 1 year. Detailed parameters such as half-life, volume of distribution, and bioavailability are not publicly available and would need to be determined experimentally.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for tKIM in the available literature. As a research chemical intended for laboratory use only, it should be handled with standard safety precautions for handling chemical reagents. The compound is not approved for human therapeutic use. Researchers should consult the material safety data sheet (MSDS) for detailed safety and handling information. Any potential toxicity would need to be assessed through formal toxicological studies if the compound were to be developed further.
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| References | |
| Additional Infomation |
tKIM (TKIM) is a TREK-1 channel inhibitor with an IC50 of 2.96 μM. It has a molecular formula of C18H14ClN3O2S and a molecular weight of 371.84 g/mol. tKIM binds to the pocket of the intermediate (IM) state of TREK-1, which differs from the binding of common inhibitors. This suggests that tKIM is an allosteric inhibitor and that IM states of ion channels may be promising druggable targets. tKIM is soluble in DMSO and is available with a purity of 99.47%.
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| Molecular Formula |
C18H14CLN3O2S
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| Molecular Weight |
371.840661525726
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| Exact Mass |
371.049
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| CAS # |
326921-25-9
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| PubChem CID |
3115384
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
471
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=CC(=CC=1)C(N([H])N([H])C(CSC1C=CC2=CC=CC=C2N=1)=O)=O
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| InChi Key |
BWTKIGGLLXUFSV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H14ClN3O2S/c19-14-8-5-13(6-9-14)18(24)22-21-16(23)11-25-17-10-7-12-3-1-2-4-15(12)20-17/h1-10H,11H2,(H,21,23)(H,22,24)
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| Chemical Name |
4-chloro-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
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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 (672.33 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 | 2.6893 mL | 13.4466 mL | 26.8933 mL | |
| 5 mM | 0.5379 mL | 2.6893 mL | 5.3787 mL | |
| 10 mM | 0.2689 mL | 1.3447 mL | 2.6893 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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