Physicochemical Properties
| Molecular Formula | C12H6NO3-.NA+ |
| Molecular Weight | 235.17074 |
| Exact Mass | 235.025 |
| CAS # | 34994-50-8 |
| Related CAS # | Resorufin;635-78-9 |
| PubChem CID | 23693100 |
| Appearance | Dark purple to black solid powder |
| Melting Point | >300ºC(lit.) |
| LogP | 2.436 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 17 |
| Complexity | 428 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | TYXBZZBYMSVFPR-UHFFFAOYSA-M |
| InChi Code | InChI=1S/C12H7NO3.Na/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9;/h1-6,14H;/q;+1/p-1 |
| Chemical Name | sodium;7-oxophenoxazin-3-olate |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
| References |
[1]. 'AND'-based fluorescence scaffold for the detection of ROS/RNS and a second analyte. Chem Commun (Camb). 2018 Jul 26;54(61):8466-8469. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~62.5 mg/mL (~265.77 mM) H2O : ~7.69 mg/mL (~32.70 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.84 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 20.8 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 | 4.2522 mL | 21.2612 mL | 42.5224 mL | |
| 5 mM | 0.8504 mL | 4.2522 mL | 8.5045 mL | |
| 10 mM | 0.4252 mL | 2.1261 mL | 4.2522 mL |