Physicochemical Properties
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.32 |
| Exact Mass | 266.073 |
| CAS # | 50402-56-7 |
| Related CAS # | EDANS sodium;100900-07-0 |
| PubChem CID | 92329 |
| Appearance | White to off-white solid powder |
| Density | 1.432 g/cm3 |
| Melting Point | >350°C |
| Index of Refraction | 1.691 |
| LogP | 3.311 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 18 |
| Complexity | 366 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | SJQRQOKXQKVJGJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H14N2O3S/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17) |
| Chemical Name | 5-(2-aminoethylamino)naphthalene-1-sulfonic acid |
| 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). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | The natural processing site of HIV-1 PR is the source of the peptide sequence of EDANS[1]. When fluorescent substrates are added to recombinant HIV-1 PR, the Tyr-Pro bond is specifically broken and the intensity of the fluorescence increases with time in a manner that is directly proportional to the degree of substrate hydrolysis [1]. |
| References |
[1]. Novel fluorogenic substrates for assaying retroviral proteases by resonance energy transfer. Science. 1990 Feb 23;247(4945):954-8. |
Solubility Data
| Solubility (In Vitro) | DMSO: 13.89 mg/mL (52.16 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.39 mg/mL (5.22 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 13.9 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: ≥ 1.39 mg/mL (5.22 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 13.9 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: ≥ 1.39 mg/mL (5.22 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 13.9 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 | 3.7549 mL | 18.7744 mL | 37.5488 mL | |
| 5 mM | 0.7510 mL | 3.7549 mL | 7.5098 mL | |
| 10 mM | 0.3755 mL | 1.8774 mL | 3.7549 mL |