| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
EC50: 92.8 nM (mGlu2 receptor)[1]
CBiPES targets the metabotropic glutamate receptor 2 (mGlu2), a G protein-coupled receptor that is activated by the neurotransmitter glutamate. mGlu2 receptors are primarily localized presynaptically in the central nervous system, where they function as autoreceptors that inhibit glutamate release. Activation of mGlu2 receptors has been shown to have antipsychotic, anxiolytic, and cognitive-enhancing effects in animal models. CBiPES is a positive allosteric modulator, meaning that it binds to a site on the receptor distinct from the orthosteric (glutamate-binding) site and enhances the receptor's response to glutamate. This mechanism offers advantages over orthosteric agonists, including improved selectivity, reduced risk of receptor desensitization, and a ceiling effect that may limit the risk of over-activation. CBiPES exhibits an EC50 of 92.8 nM for mGlu2 modulation, indicating potent activity. |
|---|---|
| ln Vitro |
In vitro, CBiPES functions as a potent positive allosteric modulator of mGlu2 with an EC50 of 92.8 nM. The compound enhances the response of mGlu2 to glutamate, potentiating its activity. This potentiation can be measured in cell-based assays using cells expressing recombinant mGlu2 receptors, where the compound increases the efficacy or potency of glutamate in activating the receptor. CBiPES has been shown to attenuate stress-induced hyperthermia in animal models, an effect that is consistent with mGlu2 PAM activity and anxiolytic-like effects. The compound also attenuates phencyclidine (PCP)-induced hyperlocomotor activity, a behavioral model that is used to assess antipsychotic-like activity. These in vitro and in vivo effects support the potential of mGlu2 PAMs as therapeutic agents for psychiatric disorders. However, specific quantitative data beyond the EC50 value are limited.
|
| ln Vivo |
In vivo, CBiPES attenuates stress-induced hyperthermia and phencyclidine-induced hyperlocomotor activity. Stress-induced hyperthermia is a model of anxiety-like behavior, where an increase in body temperature is observed in response to a stressor. The attenuation of this response by CBiPES suggests anxiolytic-like activity. Phencyclidine-induced hyperlocomotor activity is a model of psychotic-like behavior, where PCP induces increased locomotor activity that is thought to model the positive symptoms of schizophrenia. The attenuation of this response by CBiPES suggests antipsychotic-like activity. These in vivo effects are consistent with the known pharmacology of mGlu2 PAMs and support the potential of CBiPES as a research tool for studying glutamatergic dysfunction in psychiatric disorders. However, specific details regarding animal models, dosing regimens, and quantitative outcomes are limited in the available literature.
|
| Enzyme Assay |
In vitro enzyme or receptor binding assay protocols for CBiPES would typically involve measuring its modulation of mGlu2 receptor activity using cell-based functional assays. A standard protocol would involve using cells (e.g., CHO or HEK293 cells) stably or transiently expressing recombinant human mGlu2 receptors and a G protein-coupled receptor signaling reporter system, such as a calcium-sensitive fluorescent dye (e.g., Fluo-4) or a luciferase-based reporter (e.g., CRE-luciferase or a chimeric G protein system). Cells are seeded in multi-well plates, and varying concentrations of CBiPES (typically 0.1 nM to 10 μM) are added in the presence of a submaximal concentration of glutamate (e.g., EC20). The signal (calcium fluorescence or luminescence) is measured, and the potentiation of the glutamate response is calculated. EC50 values are determined from concentration-response curves. For binding studies, radioligand binding assays using 3H-glutamate or selective mGlu2 radioligands can be performed to assess allosteric modulation.
|
| Cell Assay |
In vitro cell-based assay protocols for CBiPES typically involve assessing its activity as a positive allosteric modulator of mGlu2 receptors in cultured cells. A standard protocol would involve seeding cells expressing recombinant mGlu2 receptors in 96-well plates and loading them with a calcium-sensitive fluorescent dye (e.g., Fluo-4 AM) according to the manufacturer's instructions. Cells are then treated with varying concentrations of CBiPES (typically 0.1 nM to 10 μM) in the presence of a submaximal concentration of glutamate (e.g., EC20). Fluorescence changes (indicating intracellular calcium elevation) are measured using a fluorescence plate reader. The potentiation of the glutamate response by CBiPES is calculated as the fold increase in calcium signal compared to glutamate alone. For cell viability, parallel plates can be assessed using MTT or similar assays. Appropriate controls include vehicle-treated cells and cells treated with a known mGlu2 PAM as a positive control. The assay can also be adapted for high-throughput screening of mGlu2 PAMs.
|
| Animal Protocol |
In vivo animal experimental protocols for CBiPES typically involve assessing its effects on stress-induced hyperthermia and phencyclidine-induced hyperlocomotor activity. For stress-induced hyperthermia, a standard protocol involves administering CBiPES orally or intraperitoneally to mice at doses determined from preliminary studies (e.g., 1-30 mg/kg). After a defined period (e.g., 30-60 minutes), body temperature is measured using a rectal thermometer before and after exposure to a stressor (e.g., handling or injection). The temperature increase is calculated, and the effect of CBiPES on this increase is compared to vehicle-treated controls. For PCP-induced hyperlocomotor activity, mice are treated with CBiPES, followed by PCP administration, and locomotor activity is measured in an open field or activity chamber over a defined period (e.g., 30-60 minutes). The reduction in PCP-induced hyperactivity by CBiPES is calculated. Appropriate controls include vehicle-treated and PCP-only groups.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of CBiPES have not been extensively characterized in published studies. The compound has a molecular weight of 377.46 (C21H19N3O2S). Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported. The compound's protein binding, metabolism, and routes of elimination remain uncharacterized. Based on its structure as a small molecule with moderate lipophilicity, CBiPES would be expected to have reasonable oral bioavailability and the ability to cross the blood-brain barrier, consistent with its CNS activity. Further pharmacokinetic studies would be required to understand its absorption, distribution, metabolism, and excretion profile. The compound should be stored under recommended conditions to maintain stability.
|
| Toxicity/Toxicokinetics |
Toxicological data for CBiPES are limited, as the compound is intended for research use only and has not undergone systematic toxicity testing. No acute toxicity (LD50), subchronic toxicity, genotoxicity, or reproductive toxicity studies have been reported specifically for this compound. As with all research chemicals, appropriate safety precautions should be taken when handling the compound, including working in a fume hood, wearing appropriate personal protective equipment, and avoiding inhalation, ingestion, or skin contact. The compound is not intended for human use. Researchers should consult the material safety data sheet (MSDS) for specific safety information and handling recommendations.
|
| References |
|
| Additional Infomation |
CBiPES is a research-grade compound that functions as a potent positive allosteric modulator of mGlu2 with an EC50 of 92.8 nM. It attenuates stress-induced hyperthermia and phencyclidine-induced hyperlocomotor activity, supporting its potential as an anxiolytic and antipsychotic agent. CBiPES is used in research on neurological and psychiatric disorders, particularly those involving glutamatergic dysfunction such as schizophrenia, anxiety, and depression. It has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves positive allosteric modulation of mGlu2 receptors, enhancing the receptor's response to glutamate and modulating glutamatergic neurotransmission. The compound is available exclusively for research purposes and is not intended for diagnostic, therapeutic, or human applications.
|
| Molecular Formula |
C21H19N3O2S
|
|---|---|
| Molecular Weight |
377.46
|
| Exact Mass |
377.119
|
| CAS # |
353235-01-5
|
| PubChem CID |
9864510
|
| Appearance |
Solid powder
|
| Density |
1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
|
| Boiling Point |
614.1±65.0 °C(Predicted)
|
| LogP |
3.2
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
27
|
| Complexity |
613
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S(CC)(N(C1C=CC=C(C2C=CC(C#N)=CC=2)C=1)CC1C=NC=CC=1)(=O)=O
|
| InChi Key |
HDVYXILCBYGKGU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H19N3O2S/c1-2-27(25,26)24(16-18-5-4-12-23-15-18)21-7-3-6-20(13-21)19-10-8-17(14-22)9-11-19/h3-13,15H,2,16H2,1H3
|
| Chemical Name |
N-[3-(4-cyanophenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO :~100 mg/mL (~264.93 mM; with sonication)
|
|---|---|
| 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 | 2.6493 mL | 13.2464 mL | 26.4929 mL | |
| 5 mM | 0.5299 mL | 2.6493 mL | 5.2986 mL | |
| 10 mM | 0.2649 mL | 1.3246 mL | 2.6493 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
