Physicochemical Properties
| Molecular Formula | C14H10BRNOS |
| Molecular Weight | 320.2043 |
| Exact Mass | 318.966 |
| CAS # | 100874-08-6 |
| PubChem CID | 731364 |
| Appearance | White to light yellow solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 444.2±47.0 °C at 760 mmHg |
| Flash Point | 222.4±29.3 °C |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.715 |
| LogP | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 18 |
| Complexity | 271 |
| Defined Atom Stereocenter Count | 0 |
| 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 | Under blood starvation conditions, PREC cells are induced to phosphorylate SMAD-1/5/9 in a dose-dependent manner by the BMP signaling agonist sb4 (0.05 μM-1 μM; 24 hours) [1]. ; 0–60 minutes) to improve the effectiveness of signal transduction at each evaluated rhBMP4 concentration. At low rhBMP4 doses, this impact is very evident, and at 0.4 ng/mL of rhBMP4, sb4 doubles BRE-luc expression[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: BRE-Luc Cell Tested Concentrations: 1 μM Incubation Duration: 0 min, 5 min, 15 min, 30 min, 45 min, 60 min Experimental Results: Stable p-SMAD-1/5/9 and above Enhance transcriptional response. |
| References |
[1]. High-throughput screens for agonists of bone morphogenetic protein (BMP) signaling identify potent benzoxazole compounds.J Biol Chem. 2019 Mar 1;294(9):3125-3136. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~312.30 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.81 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 (7.81 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 (7.81 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 | 3.1230 mL | 15.6152 mL | 31.2305 mL | |
| 5 mM | 0.6246 mL | 3.1230 mL | 6.2461 mL | |
| 10 mM | 0.3123 mL | 1.5615 mL | 3.1230 mL |