| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
Purity: =98.92%
| Targets |
4-CMTB specifically targets FFA2 (GPR43), a G protein-coupled receptor for short-chain fatty acids (SCFAs) that plays a crucial role in metabolic and inflammatory regulation. It acts as an ago-PAM, meaning it has dual functionality: it acts as a direct agonist and also enhances the effects of endogenous ligands like acetate. It binds exclusively to an allosteric pocket on the receptor's second extracellular loop (ECL2), a site distinct from the orthosteric SCFA binding pocket.
|
|---|---|
| ln Vitro |
4-CMTB functions as a positive allosteric modulator and direct agonist of the effects of short-chain free fatty acids. 4-CMTB acts on FFA2's second extracellular loop (ECL2) to control the activity of short-chain fatty acids [1][2].
In vitro, 4-CMTB is a selective FFA2 agonist that demonstrates potent activity. It shows consistent potency across species, with an EC50 of 100 nM in human and 158 nM in mouse (GTPγS assays). It selectively induces FFA2-mediated ERK1/2 phosphorylation without activating FFA1 or FFA3. Its ago-allosteric mechanism has been validated by cryo-electron microscopy, confirming its unique binding site and mode of action. |
| ln Vivo |
In vivo activity data for 4-CMTB are not extensively detailed in the search results. As a selective FFA2 agonist, it is a valuable tool for studying the role of this receptor in various physiological and pathophysiological processes, including inflammation, metabolism, and immune function. It is used in animal models to investigate the effects of FFA2 activation.
|
| Enzyme Assay |
For non-cellular in vitro receptor binding assays, 4-CMTB is used to characterize its binding affinity and allosteric modulation of FFA2. Typically, this involves radioligand binding assays or biophysical techniques like surface plasmon resonance (SPR) to study its interaction with the allosteric pocket on ECL2. These assays confirm its selectivity and its distinct binding site compared to endogenous SCFA ligands.
|
| Cell Assay |
For in vitro cellular assays, the activity of 4-CMTB is evaluated in cells expressing FFA2. Key functional assays include measuring the activation of downstream signaling pathways, such as ERK1/2 phosphorylation, and the inhibition of cAMP accumulation. The compound's ago-allosteric activity is confirmed by its ability to both activate the receptor directly and enhance the effects of acetate.
|
| Animal Protocol |
In vivo animal studies with 4-CMTB would typically be conducted in mouse models to investigate the role of FFA2 in various diseases. For example, it could be used in models of colitis, asthma, or metabolic syndrome to study the effects of FFA2 activation on inflammation, immune cell function, and metabolism. The compound can be administered via various routes, including oral or intraperitoneal injection.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-CMTB are not extensively documented. As a small-molecule ago-PAM with a molecular weight of 294.8, it is likely to have favorable oral bioavailability. Its solubility in DMSO facilitates formulation for both in vitro and in vivo studies. However, specific parameters such as half-life and clearance are not available in the provided search results.
|
| Toxicity/Toxicokinetics |
Toxicological data for 4-CMTB are limited. As a research compound, it is intended for laboratory use only and not for human therapeutic applications. Its safety profile has not been established for clinical use. At the concentrations used in research, it is generally considered to have low toxicity, but standard laboratory safety practices should always be followed.
|
| References |
|
| Additional Infomation |
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butyramide is a member of the acetamide class of compounds.
4-CMTB is a selective FFA2 (GPR43) ago-allosteric modulator (ago-PAM). It binds to an allosteric pocket on ECL2, distinct from the orthosteric site. It acts as a direct agonist and positive modulator with a pEC50 of 6.38. 4-CMTB shows consistent potency (human EC50 = 100 nM) and selectively activates FFA2 without cross-reactivity with FFA1 or FFA3. |
| Molecular Formula |
C14H15CLN2OS
|
|---|---|
| Molecular Weight |
294.80
|
| Exact Mass |
294.059
|
| CAS # |
300851-67-6
|
| PubChem CID |
4307629
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.824
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
19
|
| Complexity |
306
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2
|
| InChi Key |
AZYDQCGCBQYFSE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)
|
| Chemical Name |
2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
|
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (339.21 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.48 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 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 (8.48 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3921 mL | 16.9607 mL | 33.9213 mL | |
| 5 mM | 0.6784 mL | 3.3921 mL | 6.7843 mL | |
| 10 mM | 0.3392 mL | 1.6961 mL | 3.3921 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
COA