| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| Targets |
CB1R Allosteric modulator 3 targets the cannabinoid receptor 1 (CB1R), a G protein-coupled receptor that is part of the endocannabinoid system. CB1R is involved in various physiological processes including appetite regulation, pain sensation, and mood. As a positive allosteric modulator (PAM), this compound binds to an allosteric site on the receptor, modulating the receptor's response to endogenous cannabinoids. It enhances the activity of the receptor in the presence of orthosteric agonists, leading to inhibition of cAMP and β-Arrestin recruitment.
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| ln Vitro |
CB1R allosteric modulator 3 (compound 44) (0.10 nM–10 μM, 30 minutes), exhibits strong inhibitory effects on both β-Arrestin and cAMP, with EC50 values of 1.241 μM and 0.018 μM, respectively [1]. Because of the small lipophilic functional group at the ortho position of the benzene ring at position III of GAT211, CB1R allosteric modulator 3 can increase CB1R ago-PAM activity [1].
In vitro, CB1R Allosteric modulator 3 demonstrates potent inhibition of cAMP and β-Arrestin with EC50 values of 0.018 μM and 1.241 μM, respectively. At concentrations ranging from 0.10 nM to 10 μM, the compound exhibits potent inhibition of these signaling pathways. Due to the presence of small lipophilic functional groups, the compound enhances CB1R ago-PAM activity. These in vitro activities confirm its mechanism as a positive allosteric modulator of CB1R. |
| ln Vivo |
Specific in vivo data for CB1R Allosteric modulator 3 are limited in publicly available sources. Based on its in vitro mechanism, the compound is expected to have potential for studying obesity and nicotine addiction. However, detailed in vivo efficacy studies in animal models have not been extensively reported. The compound is primarily used as a research tool for studying CB1R allosteric modulation.
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| Enzyme Assay |
In vitro receptor binding and functional assays are used to characterize CB1R Allosteric modulator 3's activity. Radioligand binding assays measure the compound's affinity for the allosteric site on CB1R. Functional assays measure the inhibition of cAMP accumulation and β-Arrestin recruitment in cells expressing CB1R. EC50 values of 0.018 μM (cAMP) and 1.241 μM (β-Arrestin) are determined from dose-response curves.
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| Cell Assay |
Cell-based assays for CB1R Allosteric modulator 3 are conducted in cells expressing the CB1 receptor. Cells are treated with the compound at various concentrations ranging from 0.10 nM to 10 μM. cAMP levels are measured using ELISA or HTRF-based assays. β-Arrestin recruitment is measured using BRET or similar technologies. These assays confirm the compound's allosteric modulation of CB1R signaling.
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| Animal Protocol |
In vivo animal experiments with CB1R Allosteric modulator 3 have not been extensively documented. Typical study designs would involve administration of the compound in animal models of obesity or nicotine addiction. Dosing regimens and routes of administration would need to be optimized. The compound is for research use only.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CB1R Allosteric modulator 3 are not extensively characterized. The compound has a molecular formula of C22H17ClN2O2 and a molecular weight of 376.84. Solubility: DMSO: 80 mg/mL (212.29 mM; Sonication is recommended). Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year. Specific data on absorption, distribution, metabolism, and excretion are not available.
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| Toxicity/Toxicokinetics |
Safety and toxicology data for CB1R Allosteric modulator 3 are limited. The compound is for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling the compound. No specific toxicity data are available.
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| References | |
| Additional Infomation |
CB1R Allosteric modulator 3 has CAS number 2633686-36-7, molecular formula C22H17ClN2O2, and molecular weight 376.84. It is a potent CB1R positive allosteric modulator (PAM) that inhibits cAMP and β-Arrestin with EC50 values of 0.018 μM and 1.241 μM, respectively. It can be used for the study of obesity and nicotine addiction. Purity: 98.18%. Not for human use; for research purposes only.
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| Molecular Formula |
C22H17CLN2O2
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| Molecular Weight |
376.835584402084
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| Exact Mass |
376.097
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| CAS # |
2633686-36-7
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| PubChem CID |
162647896
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
5.9
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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 |
4
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| Heavy Atom Count |
27
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| Complexity |
505
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1C2=C(C=CC=C2)C(C(C2=CC=CC=C2Cl)C[N+]([O-])=O)=C1C1=CC=CC=C1
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| InChi Key |
FWEGGBUXRLCEQI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H17ClN2O2/c23-19-12-6-4-10-16(19)18(14-25(26)27)21-17-11-5-7-13-20(17)24-22(21)15-8-2-1-3-9-15/h1-13,18,24H,14H2
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| Chemical Name |
3-[1-(2-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
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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 | 2.6536 mL | 13.2682 mL | 26.5365 mL | |
| 5 mM | 0.5307 mL | 2.6536 mL | 5.3073 mL | |
| 10 mM | 0.2654 mL | 1.3268 mL | 2.6536 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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