| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
CB1 152.9 nM (Ki) CB2 10.8 nM (Ki)
Cannabinoid receptor 2 (CB2R) and Fatty Acid Amide Hydrolase (FAAH). CB2R/FAAH modulator-2 acts as a high-affinity agonist at CB2R (Ki=10.8 nM) and as a competitive inhibitor of FAAH (IC50=6.2 uM). It shows selectivity for CB2R over CB1R (Ki=152.9 nM), minimizing potential central nervous system side effects. |
|---|---|
| ln Vitro |
Compound 26 (CB2R/FAAH modulator-2) at 10 μM inhibits the release of pro-inflammatory cytokines in unstimulated monocytes and macrophages, including TNFα, IFN-γ, IL-1β, and IL6[1].
In vitro, CB2R/FAAH modulator-2 shows high affinity for CB2R with a Ki of 10.8 nM and inhibits FAAH with an IC50 of 6.2 uM. At a concentration of 10 uM, it reduces the production of pro-inflammatory cytokines TNFalpha, IFN-gamma, IL-1beta, and IL-6 in unstimulated human monocytes and macrophages, demonstrating potent immunomodulatory activity. |
| ln Vivo |
In vivo activity data for CB2R/FAAH modulator-2 is not detailed in these references. Its dual mechanism suggests potential for anti-inflammatory and analgesic effects. By activating CB2R and elevating endocannabinoid levels via FAAH inhibition, it may produce synergistic effects in animal models of chronic inflammation, neuropathic pain, and neurodegenerative diseases.
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| Enzyme Assay |
The binding affinity for CB2 is determined via a radioligand competition binding assay using [3H]CP-55,940. The FAAH inhibition assay is typically conducted using a fluorescent substrate. A standard protocol involves incubating the test compound with human recombinant FAAH and the substrate arachidonoyl 7-amino-4-methylcoumarin amide (Arac-AMC). The release of fluorescent AMC is measured over time to calculate the IC50 for inhibition.
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| Cell Assay |
To assess the cellular anti-inflammatory effect, human peripheral blood mononuclear cells (PBMCs) or isolated monocytes and macrophages are treated with CB2R/FAAH modulator-2 (e.g., 10 uM) for 24-48 hours in the presence of LPS to induce inflammation. The levels of cytokines (TNFalpha, IFN-gamma, IL-1beta, IL-6) in the cell culture supernatant are then quantified using enzyme-linked immunosorbent assay (ELISA) kits.
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| Animal Protocol |
A typical in vivo protocol for testing a dual CB2R/FAAH modulator would involve administering the compound (e.g., 3-30 mg/kg, i.p. or p.o.) in a mouse model of acute inflammation, such as the carrageenan-induced paw edema model. Paw swelling is measured using a plethysmometer. In a model of neuropathic pain (e.g., chronic constriction injury), mechanical allodynia and thermal hyperalgesia would be assessed using von Frey filaments and a hot plate, respectively.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for CB2R/FAAH modulator-2 is not provided in these references. As a small molecule with a molecular weight of approximately 367.52 g/mol, it may have moderate lipophilicity and could be optimized for oral bioavailability. In vitro ADME assays (e.g., microsomal stability, plasma protein binding) would be required to characterize its absorption, distribution, and metabolism.
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| Toxicity/Toxicokinetics |
No detailed toxicological data is provided. However, the selectivity for CB2 over CB1 is a key safety feature, as it minimizes the risk of psychoactive side effects associated with CB1 activation. The compound is in the research stage, and comprehensive toxicology studies would be needed for preclinical development.
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| References | |
| Additional Infomation |
CB2R/FAAH modulator-2 is a "multitarget" compound, representing a modern drug discovery strategy where a single molecule is designed to modulate two complementary biological pathways. By both directly activating an anti-inflammatory receptor (CB2) and indirectly boosting natural anti-inflammatory lipids (endocannabinoids via FAAH inhibition), it has potential applications in treating chronic inflammation where single-target agents may have limited efficacy.
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| Molecular Formula |
C24H33NO2
|
|---|---|
| Molecular Weight |
367.524327039719
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| Exact Mass |
367.251
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| CAS # |
2876918-68-0
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| PubChem CID |
168431271
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| Appearance |
Light yellow to yellow solid powder
|
| LogP |
6.2
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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 |
5
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| Heavy Atom Count |
27
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| Complexity |
497
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C1=CC=CC=C1OCC1CCCCC1)NC12CC3CC(CC(C3)C1)C2
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| InChi Key |
HELGBAFBVFSPJF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H33NO2/c26-23(25-24-13-18-10-19(14-24)12-20(11-18)15-24)21-8-4-5-9-22(21)27-16-17-6-2-1-3-7-17/h4-5,8-9,17-20H,1-3,6-7,10-16H2,(H,25,26)
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| Chemical Name |
N-(1-adamantyl)-2-(cyclohexylmethoxy)benzamide
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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 | 2.7209 mL | 13.6047 mL | 27.2094 mL | |
| 5 mM | 0.5442 mL | 2.7209 mL | 5.4419 mL | |
| 10 mM | 0.2721 mL | 1.3605 mL | 2.7209 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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