Physicochemical Properties
| Molecular Formula | C9H9BRO2 |
| Molecular Weight | 229.0706 |
| Exact Mass | 227.978 |
| CAS # | 2632-13-5 |
| PubChem CID | 4965 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 306.7±17.0 °C at 760 mmHg |
| Melting Point | 69-71 °C(lit.) |
| Flash Point | 139.3±20.9 °C |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.554 |
| LogP | 2.27 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 12 |
| Complexity | 151 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | XQJAHBHCLXUGEP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3 |
| Chemical Name | 2-bromo-1-(4-methoxyphenyl)ethanone |
| 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 | PTP inhibitor 1 exhibits an IC50 of 3.7 μM and anti-angiogenic action on HUVEC [1] |
| References |
[1]. Phosphatase inhibitors with anti-angiogenic effect in vitro. APMIS. 2010 Jan;118(1):49-59. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~436.55 mM) H2O : ~1 mg/mL (~4.37 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.91 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 (10.91 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 (10.91 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 | 4.3655 mL | 21.8274 mL | 43.6548 mL | |
| 5 mM | 0.8731 mL | 4.3655 mL | 8.7310 mL | |
| 10 mM | 0.4365 mL | 2.1827 mL | 4.3655 mL |