| Size | Price | Stock | Qty |
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| 5mg |
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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 |
MAGL (monoacylglycerol lipase). JJKK048 is a cell-penetrant, ultrapotent, and highly selective MAGL inhibitor. It exhibits low cross-reactivity with other endocannabinoid targets and is an irreversible inhibitor that binds to the active site S122.
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| ln Vitro |
JJKK048 inhibits MAGL with an IC₅₀ of 0.4 nM. It is a cell-penetrant, ultrapotent, and highly selective inhibitor. The compound shows low cross-reactivity with other endocannabinoid targets and is an irreversible inhibitor. Detailed in vitro selectivity profiling has been reported.
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| ln Vivo |
JJKK048 has been studied for anticancer and anti-inflammatory applications. As a MAGL inhibitor, it modulates the endocannabinoid system by increasing 2-AG levels. Detailed in vivo efficacy data in animal models of cancer and inflammation has been reported in the literature.
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| Enzyme Assay |
MAGL enzymatic activity assay: Recombinant MAGL is incubated with varying concentrations of JJKK048 and a fluorogenic substrate (e.g., 4-methylumbelliferyl oleate or arachidonoyl-7-amino-4-methylcoumarin) in assay buffer at 37°C for 30-60 min. The release of fluorescent product is measured. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Endocannabinoid level measurement: Cells are treated with JJKK048 at varying concentrations for specified time periods. Lipids are extracted, and 2-AG levels are measured by LC-MS/MS. The increase in 2-AG levels resulting from MAGL inhibition is quantified. Selectivity is assessed by measuring other lipid species.
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| Animal Protocol |
No in vivo animal experimental protocols have been published in the available literature. In vivo studies would typically involve mouse models of cancer or inflammation, where JJKK048 would be administered via intraperitoneal or oral routes, followed by measurement of 2-AG levels, tumor growth, or inflammatory markers.
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| ADME/Pharmacokinetics |
JJKK048 has a molecular weight of 434.44 g/mol and molecular formula C₂₃H₂₂N₄O₅. CAS number is 1515855-97-6. The compound is a cell-penetrant, ultrapotent MAGL inhibitor with an IC₅₀ of 0.4 nM. Comprehensive PK parameters remain to be characterized.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published. JJKK048 is for research use only. Standard laboratory safety practices should be followed when handling this compound. As a MAGL inhibitor, potential effects on the endocannabinoid system should be considered.
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| References |
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| Additional Infomation |
JJKK048 is a cell-penetrant, ultrapotent, and highly selective MAGL inhibitor with an IC₅₀ of 0.4 nM. It exhibits low cross-reactivity with other endocannabinoid targets and is an irreversible inhibitor that binds to active site S122. The compound is used in anticancer and anti-inflammatory studies. No clinical trials or approved上市 status have been reported.
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| Molecular Formula |
C23H22N4O5
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|---|---|
| Molecular Weight |
434.452
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| Exact Mass |
434.159
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| CAS # |
1515855-97-6
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| PubChem CID |
76313567
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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 |
615.9±65.0 °C at 760 mmHg
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| Flash Point |
326.3±34.3 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.727
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| LogP |
2.47
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
32
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| Complexity |
643
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)N6C=NC=N6
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| InChi Key |
CLSNATLUIXZPMV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
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| Chemical Name |
[4-[bis(1,3-benzodioxol-5-yl)methyl]piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone
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| Synonyms |
JJKK 048; JJKK-048; JJKK048
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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 : ~33.33 mg/mL (~76.72 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.75 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.75 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.75 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3018 mL | 11.5088 mL | 23.0176 mL | |
| 5 mM | 0.4604 mL | 2.3018 mL | 4.6035 mL | |
| 10 mM | 0.2302 mL | 1.1509 mL | 2.3018 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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