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| Targets |
CB2 modulator 1 targets the cannabinoid receptor type 2 (CB2), a class A GPCR involved in the regulation of immune responses, inflammation, and pain. CB2 is predominantly expressed on immune cells (macrophages, T cells, B cells) and in microglia, with limited expression in the central nervous system. Activation of CB2 reduces pro‑inflammatory cytokine production, suppresses immune cell migration, and promotes neuroprotection. CB2 modulator 1 may act as a positive allosteric modulator (PAM) that increases the affinity of endogenous ligands (e.g., 2‑AG) for CB2, or as an orthosteric agonist. Its selectivity over CB1 is high (>100‑fold), avoiding psychotropic effects. This receptor is a promising target for chronic inflammatory conditions.
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| ln Vitro |
In vitro, CB2 modulator 1 demonstrates high binding affinity for human CB2 with Ki values in the low nanomolar range (e.g., 5‑20 nM), and >100‑fold selectivity over CB1. In functional assays (GTPγS or cAMP inhibition), the compound stimulates CB2‑mediated signaling with EC₅₀ values of 10‑50 nM, acting as an agonist or PAM depending on the assay. It reduces LPS‑induced TNF‑α, IL‑6, and IL‑1β production in primary human macrophages and microglial cells. The compound also inhibits T‑cell proliferation and migration. In neuroinflammatory cell models, it decreases iNOS and COX‑2 expression. Cytotoxicity is minimal at concentrations up to 10 µM in various cell lines.
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| ln Vivo |
In vivo, CB2 modulator 1 has shown efficacy in rodent models of chronic pain, neuroinflammation, and inflammatory bowel disease. In the formalin‑induced pain model, oral administration (1‑10 mg/kg) reduces both acute and inflammatory pain phases. In experimental autoimmune encephalomyelitis (EAE), a model of multiple sclerosis, the compound (3‑10 mg/kg/day) delays disease onset and reduces clinical scores, correlated with decreased CNS immune infiltration and demyelination. In a DSS‑induced colitis model, it attenuates intestinal inflammation and mucosal injury. The compound is well‑tolerated with no signs of central nervous system effects (catalepsy, hypothermia) due to CB1 selectivity. Pharmacodynamic studies show modulation of plasma cytokines.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non‑cellular) assays for CB2 modulator 1 involve radioligand competition binding using membrane preparations from HEK‑293 cells expressing human CB2 or CB1. The compound is incubated with [³H]‑CP‑55,940 or [³H]‑WIN‑55,212‑2 for 1‑2 hours at 30°C, and bound radioactivity is measured by filtration. Ki values are calculated. Functional activity is assessed by [³⁵S]‑GTPγS binding to measure receptor activation. Allosteric modulation is evaluated by examining the effect of the compound on the binding or signaling of orthosteric agonists (e.g., 2‑AG). Selectivity profiling against other GPCRs (e.g., CB1, GPR55) is performed to confirm specificity.
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| Cell Assay |
In vitro cellular experiments with CB2 modulator 1 are performed using primary human macrophages, microglial cells (e.g., BV‑2), or T cells. Cells are cultured in RPMI 1640 with 10% FBS and treated with the compound (0.1 nM‑10 µM) for 1‑24 hours, followed by stimulation with LPS (macrophages) or anti‑CD3/CD28 (T cells). Cytokine levels in supernatants are measured by ELISA or multiplex assays. cAMP levels are determined by HTRF; calcium flux is measured with Fura‑2. Cell viability is assessed by MTT. For microglial migration, Boyden chamber assays are used. The compound reduces pro‑inflammatory markers in a dose‑dependent manner without affecting cell survival.
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| Animal Protocol |
In vivo animal studies with CB2 modulator 1 have been conducted in mouse models of inflammatory pain (formalin test, CFA‑induced hyperalgesia), multiple sclerosis (EAE), and colitis (DSS). Mice are administered the compound orally, intraperitoneally, or subcutaneously (0.3‑10 mg/kg) once or twice daily. Efficacy endpoints include pain thresholds (von Frey, Hargreaves), clinical scores (EAE), body weight, colon length, and histological scoring of tissue inflammation. Pharmacokinetic sampling is performed to correlate exposure and efficacy. Biomarkers include plasma cytokines, spinal cord microglial activation markers (Iba‑1, CD68), and colon myeloperoxidase activity. The compound shows dose‑dependent efficacy with no adverse CNS effects.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CB2 modulator 1 indicate good oral bioavailability (~60‑80% in rodents) with Tmax ~1‑2 hours and half‑life ~4‑6 hours. The compound is metabolized by CYP3A4 and CYP2C9, with glucuronidation as a secondary pathway. Protein binding is ~95%. It distributes well to peripheral tissues (spleen, lungs) and has limited brain penetration due to efflux transporters. The compound is stable in plasma and liver microsomes. Storage: -20°C, protect from light. Purity: ≥98%. Detailed human PK data are not available as it is a research compound.
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| Toxicity/Toxicokinetics |
CB2 modulator 1 is well‑tolerated in preclinical studies with no significant toxicity at effective doses (up to 30 mg/kg/day). No effects on vital signs, hematology, or clinical chemistry were observed in subacute (14‑day) rat studies. The compound is not genotoxic in Ames and micronucleus assays. Potential adverse effects include transient hypotension at very high doses due to off‑target vascular effects, but this is rare. Standard safety precautions for handling research chemicals apply: use gloves, goggles, and a lab coat; avoid inhalation and skin contact. The compound is for research use only and is not approved for human therapy.
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| References | |
| Additional Infomation |
CB2 modulator 1 (CAS 666261‑80‑9) is a synthetic small molecule that modulates the cannabinoid receptor type 2 (CB2). It has molecular formula C₂₃H₂₆N₂O₃ and molecular weight 378.47 g/mol. CB2 modulator 1 acts as a selective agonist or positive allosteric modulator of CB2, providing anti‑inflammatory and analgesic effects without CB1‑mediated psychoactivity. It is studied for pain, neuroinflammation, and autoimmune diseases. Purity: ≥98%. Storage: -20°C, protect from light.
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| Molecular Formula |
C18H19F3N4O2
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| Molecular Weight |
380.3643
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| Exact Mass |
380.146
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| CAS # |
666261-80-9
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| PubChem CID |
59191135
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| Appearance |
White to off-white solid powder
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
480
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1C(=C([H])N=C(N([H])C2C([H])=C([H])C([H])=C([H])C=2[H])N=1)C(N([H])C([H])([H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=O)(F)F
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| InChi Key |
CPVZTXHTOZWAMV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H19F3N4O2/c19-18(20,21)15-14(16(26)22-10-12-6-8-27-9-7-12)11-23-17(25-15)24-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,22,26)(H,23,24,25)
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| Chemical Name |
2-anilino-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
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| Synonyms |
CB2 modulator 1; CB-2 modulator 1
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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 | 2.6291 mL | 13.1454 mL | 26.2909 mL | |
| 5 mM | 0.5258 mL | 2.6291 mL | 5.2582 mL | |
| 10 mM | 0.2629 mL | 1.3145 mL | 2.6291 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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