| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
AK-IN-1 targets adenosine kinase (AK), the enzyme responsible for the phosphorylation of adenosine to AMP. By inhibiting AK, the compound increases adenosine levels in the extracellular space. Adenosine is a potent endogenous neuromodulator that exerts anti-inflammatory, neuroprotective, and anticonvulsant effects through adenosine receptors. AK-IN-1 is competitive for adenosine (Ado) but not for ATP.
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|---|---|
| ln Vitro |
In vitro, AK-IN-1 inhibits AK activity in a concentration-dependent manner. At concentrations of 2, 4, and 10 µM, it inhibits 86%, 87%, and 89% of AK activity, respectively. The compound's competitive inhibition for adenosine but not for ATP indicates a specific mechanism of action. It is used in research to study the role of adenosine kinase in adenosine-mediated signaling pathways. Standard in vitro assays include AK enzyme activity assays using radiolabeled or fluorescent substrates.
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| ln Vivo |
In vivo, AK-IN-1 shows promise for research in ischemia, inflammation, and seizures. By increasing adenosine levels through AK inhibition, the compound may exert neuroprotective, anti-inflammatory, and anticonvulsant effects. However, comprehensive in vivo efficacy data from published literature are limited. The compound is used in preclinical research to study the therapeutic potential of adenosine elevation in various disease conditions.
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| Enzyme Assay |
For non-cell-based assays, AK-IN-1 can be evaluated using purified adenosine kinase enzyme. Enzyme activity assays are performed by incubating the enzyme with adenosine and ATP in the presence of increasing concentrations of the test compound. The production of AMP is measured using radioactive or fluorescence-based detection methods. IC50 values are calculated from the inhibition curves. The competitive nature of inhibition is confirmed by performing enzyme kinetics at various adenosine concentrations and analyzing Lineweaver-Burk plots.
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| Cell Assay |
For in vitro cellular assays, cells expressing adenosine kinase are cultured in appropriate media. Cells are treated with various concentrations of AK-IN-1, and intracellular adenosine and AMP levels are measured using HPLC or LC-MS/MS. The increase in adenosine levels compared to control indicates AK inhibition. For functional assays, the compound's effects on adenosine receptor-mediated signaling (e.g., cAMP accumulation) are assessed. Cytotoxicity is assessed using MTT or LDH assays.
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| Animal Protocol |
For in vivo animal studies, AK-IN-1 can be administered to rodents via intraperitoneal injection or oral gavage. In models of ischemia (e.g., cerebral ischemia or cardiac ischemia), tissue damage and functional outcomes are assessed following compound administration. In models of inflammation, inflammatory markers and tissue damage are evaluated. In models of seizures, seizure threshold and severity are assessed. Dosing regimens vary depending on the specific model and desired exposure levels.
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| ADME/Pharmacokinetics |
AK-IN-1 has a molecular formula of C22H21N3O4. It is a competitive inhibitor of adenosine kinase for adenosine but not for ATP. The compound is supplied as a research-grade compound. It is for research use only and is not intended for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of AK-IN-1 has not been extensively reported. As an adenosine kinase inhibitor, potential adverse effects may include modulation of adenosine signaling, which could affect cardiovascular, neurological, and immune function. The compound is for research use only and is not intended for human consumption. Standard toxicological evaluation would include acute and repeated-dose toxicity studies.
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| References | |
| Additional Infomation |
AK-IN-1 (CAS 378775-98-5) is an adenosine kinase (AK) inhibitor that is competitive for adenosine (Ado) but not for ATP. It inhibits 86%, 87%, and 89% of AK activity at concentrations of 2, 4, and 10 µM, respectively. The compound shows promise for research in ischemia, inflammation, and seizures. It is available for research purposes only.
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| Molecular Formula |
C22H21N3O4
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|---|---|
| Molecular Weight |
391.42
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| Exact Mass |
391.153
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| CAS # |
378775-98-5
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| PubChem CID |
2059510
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
593.0±50.0 °C at 760 mmHg
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| Flash Point |
312.4±30.1 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.648
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| LogP |
3.05
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
494
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=C(C=C4)OC
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| InChi Key |
ARBUGBBNEFAECO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
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| Chemical Name |
2-[[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]ethanol
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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: 100 mg/mL (255.48 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.39 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5548 mL | 12.7740 mL | 25.5480 mL | |
| 5 mM | 0.5110 mL | 2.5548 mL | 5.1096 mL | |
| 10 mM | 0.2555 mL | 1.2774 mL | 2.5548 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.
Link: https://clinicaltrials.gov/ct2/show/NCT02748798
Conditions:Lung Transplant|Lung Resection|Lung Cancer|Asthma|Cystic Fibrosis|Chronic Obstructive Pulmonary Disease|Emphysema|Mesothelioma|Asbestosis|Pulmonary Embolism|Interstitial Lung Disease|Pulmonary Fibrosis|Bronchiectasis|Seasonal Allergies|Cold Virus|Lung Infection|Pulmonary Hypertension|Pulmonary Dysplasia|Obstructive Sleep ApneaLink: https://clinicaltrials.gov/ct2/show/NCT03482960
Conditions:Cystic FibrosisLink: https://clinicaltrials.gov/ct2/show/NCT03489590
Conditions:Cystic FibrosisProducts are for research use only; We do not sell to patients
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