Physicochemical Properties
| Molecular Formula | C28H28N2O8S2 |
| Molecular Weight | 584.66 |
| Exact Mass | 584.129 |
| CAS # | 211106-69-3 |
| PubChem CID | 15348931 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 5.381 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 40 |
| Complexity | 1060 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | VYTOBATYLKBDAR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C28H28N2O8S2/c1-20-13-15-21(16-14-20)40(37,38)30(18-6-12-26(31)32)28(33)27-22-8-2-4-10-24(22)29(17-7-19-39(34,35)36)25-11-5-3-9-23(25)27/h2-5,8-11,13-16H,6-7,12,17-19H2,1H3,(H-,31,32,34,35,36) |
| Chemical Name | 3-[9-[3-carboxypropyl-(4-methylphenyl)sulfonylcarbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate |
| 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]. Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays. Patent US2009029349. |
Solubility Data
| Solubility (In Vitro) | DMSO: 14.29 mg/mL (24.44 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.43 mg/mL (2.45 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 14.3 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 | 1.7104 mL | 8.5520 mL | 17.1040 mL | |
| 5 mM | 0.3421 mL | 1.7104 mL | 3.4208 mL | |
| 10 mM | 0.1710 mL | 0.8552 mL | 1.7104 mL |