Physicochemical Properties
| Molecular Formula | C16H15CLN4O2 |
| Exact Mass | 330.088 |
| CAS # | 912789-08-3 |
| PubChem CID | 22427445 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 23 |
| Complexity | 398 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1=CC=CC(=C1)C1=CC(C(NCCCN2C=NC=C2)=O)=NO1 |
| InChi Key | DPAAHSSAGAOLBZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H15ClN4O2/c17-13-4-1-3-12(9-13)15-10-14(20-23-15)16(22)19-5-2-7-21-8-6-18-11-21/h1,3-4,6,8-11H,2,5,7H2,(H,19,22) |
| Chemical Name | 5-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide |
| 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 | ALP induction is inhibited and lipid droplet accumulation is stimulated by ISX-3 (0-100,000 nM; 10 days) [1]. Western blot study of growing hBMSCs in the presence of MDI using ISX-3 (50 µM; 2 days) [1] |
| Cell Assay |
Western blot analysis Tested Concentrations: 50µM Incubation Duration: 2 days Experimental Results: In MDI (0.5mM isobutylmethylxanthine, 1µM The expression levels of PPARγ are increased in the presence of dexamethasone and 1). μM insulin). |
| References | [1]. Nawa K, et al. Discovering small molecules that inhibit adipogenesis and promote osteoblastogenesis: unique screening and Oncostatin M-like activity. Differentiation. 2013 Jul-Sep;86(1-2):65-74. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~302.32 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.56 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 (7.56 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (7.56 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.) |