Physicochemical Properties
| Molecular Formula | C18H20N2O4S |
| Molecular Weight | 360.427403450012 |
| Exact Mass | 360.114 |
| CAS # | 903886-95-3 |
| PubChem CID | 11681998 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 25 |
| Complexity | 494 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C(OC)(=O)N[C@@H](C)C#CC1SC(OC2=CC=C(OC(C)C)C=C2)=NC=1 |
| InChi Key | OLMPAYQFDVALIH-ZDUSSCGKSA-N |
| InChi Code | InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1 |
| Chemical Name | methyl N-[(2S)-4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]carbamate |
| 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 Vivo | In ob/ob mice, A-908292 (30 mg/kg; po; twice daily for 2 weeks) lowers triglyceride and serum cholesterol levels [2]. 15 mg/kg; po; twice daily for 2 weeks is A-908292. In ACC2 knockout mice, A-908292 (30-100 mg/kg; po; twice daily for 3 days) significantly lowers triglyceride levels [3]. PPAR-α begs for assistance with signaling [2]. |
| References |
[1]. Discovery of a novel olefin derivative as a highly potent and selective acetyl-CoA carboxylase 2 inhibitor with in vivo efficacy. Bioorg Med Chem Lett. 2018 Aug 1;28(14):2498-2503. [2]. Gene expression analysis in rats treated with experimental acetyl-coenzyme A carboxylase inhibitors suggests interactions with the peroxisome proliferator-activated receptor alpha pathway. J Pharmacol Exp Ther. 2008 Feb;324(2):507-16. [3]. A Novel Acetyl-CoA Carboxylase 2 Selective Inhibitor Improves Whole-Body Insulin Resistance and Hyperglycemia in Diabetic Mice through Target-Dependent Pathways. J Pharmacol Exp Ther. 2020 Mar;372(3):256-263. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~138.72 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.47 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 12.5 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: ≥ 1.25 mg/mL (3.47 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 12.5 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: ≥ 1.25 mg/mL (3.47 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 12.5 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 | 2.7745 mL | 13.8723 mL | 27.7446 mL | |
| 5 mM | 0.5549 mL | 2.7745 mL | 5.5489 mL | |
| 10 mM | 0.2774 mL | 1.3872 mL | 2.7745 mL |