| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Galactokinase
GALK1-IN-1 targets galactokinase 1 (GALK1), an enzyme that plays a key role in galactose metabolism. Galactokinase catalyzes the phosphorylation of galactose to galactose-1-phosphate, the first step in the Leloir pathway of galactose metabolism. By inhibiting GALK1 with an IC50 of 4.2129 μM, the compound prevents the accumulation of galactose that leads to toxic effects. This makes it a valuable tool for studying galactose metabolism and related disorders. |
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| ln Vitro |
In vitro studies have demonstrated that GALK1-IN-1 is a potent inhibitor of galactokinase with an IC50 of 4.2129 μM. The compound's inhibitory activity has been characterized in enzyme assays. As a small molecule inhibitor targeting GALK1, it is used to study galactose metabolism. These in vitro findings support its applications in metabolic research and the study of galactose-related disorders.
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| ln Vivo |
In vivo studies of GALK1-IN-1 are limited as the compound is primarily used as a research tool for in vitro studies. Its ability to inhibit galactokinase suggests potential for in vivo evaluation in models of galactosemia and other galactose metabolism disorders. However, comprehensive in vivo pharmacological studies specifically targeting GALK1-IN-1 are not well documented. The compound is intended for research use only and is not for human therapeutic use.
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| Enzyme Assay |
In vitro enzyme assays for GALK1-IN-1 typically involve testing its inhibitory activity against galactokinase. Enzyme activity is measured by monitoring the phosphorylation of galactose using radiometric or spectrophotometric methods. IC50 values are determined from dose-response curves, with a reported IC50 of 4.2129 μM. The compound's purity and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry.
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| Cell Assay |
In vitro cell-based assays for GALK1-IN-1 involve culturing cells to evaluate its effects on galactose metabolism. Cells are treated with varying concentrations of the compound and galactose metabolism is assessed. Cell viability is assessed using MTT or similar colorimetric assays. The compound's effects on galactose accumulation and downstream metabolic pathways are evaluated. All experiments are performed in triplicate with appropriate controls to ensure statistical reliability.
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| Animal Protocol |
In vivo animal experiments for GALK1-IN-1 would be conducted to evaluate its effects on galactose metabolism in animal models of galactosemia. Animals would be administered the compound and galactose levels measured in blood and tissues. Parameters assessed would include galactose accumulation, metabolic markers, and tissue histopathology. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of GALK1-IN-1 reflect its nature as a small molecule inhibitor. It has a molecular weight of 336.39 and the molecular formula C19H20N4O2. The compound is stored as a powder at -20°C for up to 3 years. As a small molecule, it can cross biological membranes. Complete pharmacokinetic profiling including half-life, clearance, volume of distribution, and bioavailability would require further systematic studies using appropriate analytical methods such as high-performance liquid chromatography-mass spectrometry.
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| Toxicity/Toxicokinetics |
The toxicity profile of GALK1-IN-1 has been evaluated in the context of its use as a research chemical. As a galactokinase inhibitor, it may have effects on galactose metabolism that should be carefully evaluated. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile.
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| References | |
| Additional Infomation |
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one is a member of the quinazoline class of compounds.
GALK1-IN-1 (CAS# 669718-48-3) is also known as Compound 4. It has the molecular formula C19H20N4O2 and a molecular weight of 336.39. The compound is a potent inhibitor of galactokinase 1 (GALK1) with an IC50 of 4.2129 μM. GALK1 plays a key role in galactose metabolism, and inhibition prevents toxic galactose accumulation. The compound is used in research applications for studying galactose metabolism and related disorders. |
| Molecular Formula |
C19H20N4O2
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|---|---|
| Molecular Weight |
336.39
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| Exact Mass |
336.158
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| CAS # |
669718-48-3
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| PubChem CID |
664331
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
529.8±60.0 °C at 760 mmHg
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| Flash Point |
274.2±32.9 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.763
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| LogP |
3.16
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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 |
2
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| Heavy Atom Count |
25
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| Complexity |
635
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC2(C1)C3=C(CCCC3=O)NC(=N2)NC4=NC5=CC=CC=C5O4
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| InChi Key |
FDNVTCDQGOVLPM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
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| Chemical Name |
2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-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 | 2.9727 mL | 14.8637 mL | 29.7274 mL | |
| 5 mM | 0.5945 mL | 2.9727 mL | 5.9455 mL | |
| 10 mM | 0.2973 mL | 1.4864 mL | 2.9727 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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