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| Targets |
GSK-3β inhibitor 14 targets glycogen synthase kinase-3 beta (GSK-3β) as a weak inhibitor with an IC50 >100 μM. The compound is a benzothiazepinone derivative (1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-methyl-5-(phenylmethyl)-). Its weak inhibitory activity makes it a useful tool as a negative control or reference compound in GSK-3β inhibition studies. The compound's low potency may also be useful for studying the structural requirements for GSK-3β inhibition and for understanding the mechanism of action of more potent benzothiazepinone derivatives.
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| ln Vitro |
In vitro, GSK-3β inhibitor 14 is characterized as a weak GSK-3β inhibitor with an IC50 >100 μM. As a benzothiazepinone derivative, it represents a chemical scaffold that has been explored for GSK-3β inhibition. The compound's low potency (IC50 >100 μM) makes it a useful reference compound or negative control in GSK-3β inhibitor screening assays. It can be used to validate assay conditions and to distinguish specific GSK-3β inhibition from non-specific effects. Detailed in vitro characterization data are available in the primary literature.
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| ln Vivo |
In vivo studies of GSK-3β inhibitor 14 are not reported in publicly available literature, consistent with its characterization as a weak GSK-3β inhibitor (IC50 >100 μM). Given its low potency, the compound is unlikely to produce significant pharmacological effects in vivo at reasonable doses. It may be used as a negative control compound in animal studies to demonstrate the specificity of more potent GSK-3β inhibitors. No specific in vivo efficacy data or animal model studies have been reported.
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| Enzyme Assay |
For GSK-3β kinase activity assays, recombinant human GSK-3β enzyme is incubated with appropriate peptide substrates and varying concentrations of GSK-3β inhibitor 14 (typically ranging from 1 μM to 300 μM or higher) in the presence of ATP. Kinase activity is measured by quantifying substrate phosphorylation using radioactive or luminescent methods. IC50 values are calculated from dose-response curves. Given the weak potency (IC50 >100 μM), high concentrations of the compound are required to observe significant inhibition. Assays are performed in triplicate with appropriate vehicle controls and reference inhibitors as positive controls.
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| Cell Assay |
For in vitro cellular assays, cell lines of interest are cultured in appropriate media under standard conditions (37°C, 5% CO2). GSK-3β inhibitor 14 is dissolved in DMSO and diluted in culture medium to desired concentrations (typically including high concentrations >100 μM due to weak potency). Cells are treated with compound for specified durations. GSK-3β activity is assessed by measuring phosphorylation levels of GSK-3β substrates such as tau protein or glycogen synthase by Western blot. Due to the compound's weak activity, it may serve as a negative control in cellular assays. Each concentration is tested in replicate wells with vehicle controls.
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| Animal Protocol |
For in vivo animal studies of GSK-3β inhibitor 14, no specific published protocols are available. Given the compound's weak GSK-3β inhibitory activity (IC50 >100 μM), it is unlikely to be used for in vivo efficacy studies. It may be employed as a negative control compound in pharmacokinetic or toxicology studies to distinguish specific effects of more potent GSK-3β inhibitors. All procedures must follow institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of GSK-3β inhibitor 14 are characteristic of a small-molecule compound. The compound has a molecular weight of 283.39, formula C17H17NOS, and CAS number 863004-48-2. Purity: 99.88%. Storage: powder at -20°C for 3 years; in solvent at -80°C for 2 years. Solubility: DMSO 2.7 mg/mL (9.5 mM). Specific pharmacokinetic parameters such as half-life, clearance, and bioavailability are not extensively reported in publicly available sources.
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| Toxicity/Toxicokinetics |
According to available safety information, GSK-3β inhibitor 14 is intended for research purposes only and is not for human use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment (gloves, lab coat, safety goggles). The compound should be handled in a well-ventilated area. Avoid dust formation and inhalation. In case of skin contact, wash with plenty of soap and water. In case of eye contact, rinse cautiously with water for several minutes. No clinical toxicity data are available.
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| References | |
| Additional Infomation |
GSK-3β inhibitor 14 (WAY-333184) is a benzothiazepinone derivative that acts as a weak GSK-3β inhibitor with an IC50 >100 μM. It has a molecular weight of 283.39 and formula C17H17NOS. The compound serves as a useful reference or negative control in GSK-3β inhibition studies. It is for research use only with no clinical development or regulatory approvals reported.
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| Molecular Formula |
C17H17NOS
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| Molecular Weight |
283.387983083725
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| Exact Mass |
283.103
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| CAS # |
863004-48-2
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| PubChem CID |
20878104
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| Appearance |
White to off-white solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
20
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| Complexity |
340
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C2=CC=CC=C2N(CC2=CC=CC=C2)C(=O)CC1C
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| InChi Key |
NMFSTGNJEJROKR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H17NOS/c1-13-11-17(19)18(12-14-7-3-2-4-8-14)15-9-5-6-10-16(15)20-13/h2-10,13H,11-12H2,1H3
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| Chemical Name |
5-benzyl-2-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
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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) |
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 | 3.5287 mL | 17.6435 mL | 35.2871 mL | |
| 5 mM | 0.7057 mL | 3.5287 mL | 7.0574 mL | |
| 10 mM | 0.3529 mL | 1.7644 mL | 3.5287 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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