Physicochemical Properties
| Molecular Formula | C34H36N4O2 |
| Molecular Weight | 532.68 |
| Exact Mass | 532.283 |
| CAS # | 1034863-51-8 |
| PubChem CID | 102406797 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 6.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 40 |
| Complexity | 838 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1C=CC=C2C=1C(=O)N(C1C=CC=CC=1N)C12C2C(OC3C1=CC=C(C=3)N(CC)CC)=CC(=CC=2)N(CC)CC |
| InChi Key | FLFCPVCPMCLBEW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C34H36N4O2/c1-5-36(6-2)23-17-19-27-31(21-23)40-32-22-24(37(7-3)8-4)18-20-28(32)34(27)26-14-10-9-13-25(26)33(39)38(34)30-16-12-11-15-29(30)35/h9-22H,5-8,35H2,1-4H3 |
| Chemical Name | 2-(2-aminophenyl)-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one |
| 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 | RB-OPD (compound 1) can be used to detect NO in aqueous solution under physiologically normal conditions due to its "turn-on" type fluorogenic and chromogenic behavior toward NO. Its sensitivity and selectivity are quite high. In order to function as a "masked" NO-sensitive modulator, o-phenylenediamine, a NO-reactive group in lactam form, and rhodamine B spirolactam, a possible strong fluorophore and chromophore, make up NO-red. |
| References |
[1]. Fluorogenic and chromogenic rhodamine spirolactam based probe for nitric oxide by spiro ring opening reaction. Org Lett. 2008 Jun 19;10(12):2357-60. |
Solubility Data
| Solubility (In Vitro) | DMSO: 25 mg/mL (46.93 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.69 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% 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 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8773 mL | 9.3865 mL | 18.7730 mL | |
| 5 mM | 0.3755 mL | 1.8773 mL | 3.7546 mL | |
| 10 mM | 0.1877 mL | 0.9386 mL | 1.8773 mL |