Physicochemical Properties
| 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 |
| 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) |
Biological Activity
| 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]. |
| References |
[1]. Extracellular loop 2 of the free fatty acid receptor 2 mediates allosterism of a phenylacetamide ago-allosteric modulator. Mol Pharmacol. 2011;80(1):163-173. [2]. Milligan G, Stoddart LA, Smith NJ. Agonism and allosterism: the pharmacology of the free fatty acid receptors FFA2 and FFA3. Br J Pharmacol. 2009;158(1):146-153. |
| Additional Infomation | 2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamide is a member of acetamides. |
Solubility Data
| 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 |