| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
CB1 67.6 nM (Ki) CB2 20.1 nM (Ki)
CB2R/FAAH modulator-3 targets the cannabinoid type 2 receptor (CB2R) as an agonist and the fatty acid amide hydrolase (FAAH) as an inhibitor. It shows modest selectivity for CB2R (Ki = 20.1 nM) over CB1R (Ki = 67.6 nM). By activating CB2R and inhibiting FAAH, the compound modulates the endocannabinoid system through two complementary mechanisms. FAAH inhibition increases endocannabinoid levels, while CB2R agonism directly activates CB2 receptor signaling, potentially producing synergistic anti-inflammatory effects. |
|---|---|
| ln Vitro |
Compound 27 (CB2R/FAAH modulator-3) (10 μM) decreases unstimulated monocytes and macrophages' production of pro-inflammatory cytokines, such as TNFα, IFN-γ, IL-1β, and IL6 [1].
In vitro, CB2R/FAAH modulator-3 acts as a CB2R agonist with a Ki of 20.1 nM and inhibits FAAH with an IC50 of 3.4 µM. At 10 µM, the compound decreases the production of pro-inflammatory cytokines TNFα, IFN-γ, IL-1β, and IL-6 in unstimulated monocytes and macrophages. The compound shows approximately 3-fold selectivity for CB2R over CB1R. Standard in vitro assays include receptor binding studies, FAAH enzyme activity assays, and measurement of cytokine production by ELISA or multiplex assays. |
| ln Vivo |
In vivo, CB2R/FAAH modulator-3 has been studied in models of inflammatory cascades in cancer, neurodegenerative diseases, and COVID-19 infections. The compound's dual mechanism (CB2R agonism + FAAH inhibition) is expected to produce anti-inflammatory effects through both direct CB2 activation and indirect endocannabinoid elevation. However, comprehensive in vivo efficacy data from published literature are limited. The compound is used in preclinical research to study inflammatory and neurodegenerative conditions.
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| Enzyme Assay |
For non-cell-based receptor binding assays, CB2R/FAAH modulator-3 can be evaluated using membrane preparations from cells expressing human CB2 or CB1 receptors. Radioligand binding displacement experiments are performed using [3H]-CP55940 as the radiolabeled ligand. Membrane homogenates are incubated with increasing concentrations of the test compound and a fixed concentration of the radioligand at 30°C for 60 minutes. Bound radioligand is separated from free by filtration through GF/B filters. Nonspecific binding is determined in the presence of excess unlabeled ligand. Ki values are calculated from displacement curves. For FAAH inhibition, enzyme activity assays are performed.
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| Cell Assay |
For in vitro cellular assays, monocytes or macrophages are cultured in appropriate media. Cells are treated with CB2R/FAAH modulator-3 at 10 µM for a specified duration. Cytokine production (TNFα, IFN-γ, IL-1β, IL-6) is measured in cell culture supernatants using ELISA or multiplex bead-based assays. For CB2R functional assays, cells expressing CB2 receptors are treated with the compound and [35S]GTPγS binding or cAMP accumulation is measured to confirm agonist activity. For FAAH inhibition assays, recombinant FAAH enzyme is incubated with the compound and a fluorogenic substrate, and enzyme activity is measured.
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| Animal Protocol |
For in vivo animal studies, CB2R/FAAH modulator-3 can be administered to rodents via intraperitoneal or oral administration. In models of cancer-related inflammation, tumor growth and inflammatory markers are assessed. In neurodegenerative disease models (e.g., Alzheimer's disease, Parkinson's disease models), neurological scores and neuroinflammation markers are evaluated. In models of COVID-19 infection, inflammatory responses and viral load may be assessed. Dosing regimens vary depending on the specific model.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of CB2R/FAAH modulator-3 have not been extensively characterized. The compound has a molecular weight of 341.49 and a molecular formula of C22H31NO2. Based on its molecular properties, the compound is expected to have moderate lipophilicity and good oral bioavailability. Comprehensive ADME studies would be needed for full pharmacokinetic characterization, including assessment of oral bioavailability, half-life, protein binding, and tissue distribution.
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| Toxicity/Toxicokinetics |
The toxicity profile of CB2R/FAAH modulator-3 has not been extensively reported. As a CB2R agonist and FAAH inhibitor, potential adverse effects may include those associated with cannabinoid receptor activation and elevated endocannabinoid levels. The compound is for research use only and not for human consumption. Standard toxicological evaluation would include acute and repeated-dose toxicity studies, as well as assessment of effects on the central nervous system and immune function.
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| References | |
| Additional Infomation |
CB2R/FAAH modulator-3 (compound 27) is a dual-targeting modulator that acts as a CB2R agonist (Ki = 20.1 nM) and a FAAH inhibitor (IC50 = 3.4 µM). It shows approximately 3-fold selectivity for CB2R over CB1R (Ki = 67.6 nM). The compound reduces pro-inflammatory cytokine production in monocytes and macrophages and can be used in research related to inflammatory cascades in cancer, neurodegenerative diseases, and COVID-19 infections. It is available for research purposes only.
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| Molecular Formula |
C22H31NO2
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|---|---|
| Molecular Weight |
341.487046480179
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| Exact Mass |
341.235
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| CAS # |
2876918-67-9
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| PubChem CID |
166642490
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| Appearance |
White to off-white solid powder
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| LogP |
5.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
25
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| Complexity |
433
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(NC12CC3CC(CC(C3)C1)C2)(=O)C1=CC=CC=C1OCCCCC
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| InChi Key |
WLFXSWINOQOCKD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H31NO2/c1-2-3-6-9-25-20-8-5-4-7-19(20)21(24)23-22-13-16-10-17(14-22)12-18(11-16)15-22/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,23,24)
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| Chemical Name |
N-(1-adamantyl)-2-pentoxybenzamide
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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: 50 mg/mL (146.42 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.32 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (7.32 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 (7.32 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 | 2.9283 mL | 14.6417 mL | 29.2834 mL | |
| 5 mM | 0.5857 mL | 2.9283 mL | 5.8567 mL | |
| 10 mM | 0.2928 mL | 1.4642 mL | 2.9283 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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