Physicochemical Properties
| Molecular Formula | C16H20N3O3S2CL |
| Molecular Weight | 401.9313 |
| Exact Mass | 401.063 |
| CAS # | 376638-65-2 |
| PubChem CID | 6918663 |
| Appearance | White to off-white solid powder |
| LogP | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 25 |
| Complexity | 551 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(N(CC)CC)CC1=CSC(NS(=O)(C2=CC=CC(Cl)=C2C)=O)=N1 |
| InChi Key | PNFMZAHWOASGJC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19) |
| Chemical Name | 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N,N-diethylacetamide |
| Synonyms | BVT14225 BVT 14225 BVT-14225 |
| 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) |
Biological Activity
| ln Vitro | In hyperglycemic mice, selective inhibition of 11β-HSD1 lowers blood glucose levels. Selective inhibitors of 11β-HSD1 exhibit significant promise in the treatment of numerous untreated medical conditions, including obesity, type 2 diabetes, and metabolic syndrome (a complex disorder). In enzymatic tests, BVT-14225 exhibited strong activity, exhibiting 90% inhibition at 10 μM. In a human enzyme assay, its IC50 for 11β-HSD1 is 52 nM [2]. |
| References |
[1]. Arylsulfonamidothiazoles as a new class of potential antidiabetic drugs. Discovery of potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1. J Med Chem. 2002 Aug 29;45(18):3813-5. [2]. Novel non-steroidal inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1. J Steroid Biochem Mol Biol. 2007 May;104(3-5):123-9. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 100 mg/mL (~248.80 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.22 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 (6.22 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.22 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 | 2.4880 mL | 12.4400 mL | 24.8800 mL | |
| 5 mM | 0.4976 mL | 2.4880 mL | 4.9760 mL | |
| 10 mM | 0.2488 mL | 1.2440 mL | 2.4880 mL |