Physicochemical Properties
| Molecular Formula | C21H18N2O3 |
| Molecular Weight | 346.37922 |
| Exact Mass | 346.131 |
| CAS # | 109244-58-8 |
| PubChem CID | 105032 |
| Appearance | White to pink solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 526.9±50.0 °C at 760 mmHg |
| Flash Point | 222.4±26.4 °C |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.684 |
| LogP | 1.84 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 26 |
| Complexity | 488 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | FNEZBBILNYNQGC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,20H,22-23H2,1H3 |
| Chemical Name | methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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 | Increased light production rate is the outcome of stimulating neutrophil NADPH oxidase with 50 nM phorbol 12-myristate 13-acetate (PMA) in the presence of 10 μM dihydrorhodamine 123 (DHR 123). After adding 50 nM PMA, the cells' fluorescence intensity increased over time in the presence of 10 μM dihydrorhodamine 123. When 50 nM PMA was added to induced HL60 cells in the presence of 10 μM dihydrorhodamine 123, the cells' fluorescence increased steadily [1]. |
| References |
[1]. Dihydrorhodamine 123: a fluorescent probe for superoxide generation? Eur.J.Biochem. 217, 973-980. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~288.70 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.22 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 sonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8870 mL | 14.4350 mL | 28.8700 mL | |
| 5 mM | 0.5774 mL | 2.8870 mL | 5.7740 mL | |
| 10 mM | 0.2887 mL | 1.4435 mL | 2.8870 mL |