Physicochemical Properties
| Molecular Formula | C7H10O8S |
| Molecular Weight | 254.21 |
| Exact Mass | 254.009 |
| CAS # | 5965-83-3 |
| PubChem CID | 2723734 |
| Appearance | Solid powder |
| Density | 0,8 g/cm3 |
| Boiling Point | 705.7ºC at 760 mmHg |
| Melting Point | 105-110 °C(lit.) |
| Flash Point | 150°C |
| LogP | 1.289 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 16 |
| Complexity | 316 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(C1C([H])=C([H])C(=C(C(=O)O[H])C=1[H])O[H])(=O)(=O)O[H].O([H])[H].O([H])[H] |
| InChi Key | BHDKTFQBRFWJKR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2 |
| Chemical Name | 2-hydroxy-5-sulfobenzoic acid;dihydrate |
| Synonyms | SSA dihydrate |
| 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 |
| 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 | 5-Sulfosalicylic acid dihydrate (0.5-4 mM, 24 h) shows a reduction in the viability of MCF-7 cells[1]. |
| Cell Assay |
Cell Cytotoxicity Assay[1] Cell Types: MCF-7 and HUVEC Tested Concentrations: 0.5, 1, 2, 4 mM Incubation Duration: 24 hours Experimental Results: Showed the viability of 63.3% and 70.4% in MCF-7 and HUVEC control cells respectively at 1 mM 5-sulfosalicylic acid. |
| References |
[1]. A protein-sulfosalicylic acid/boswellic acids @metal-organic framework nanocomposite as anticancer drug delivery system. Colloids Surf B Biointerfaces. 2021 Aug;204:111788. [2]. Effect of 5-sulfosalicylic acid on antioxidant activity in relation to vase life of Gladiolus cut flowers. Plant Growth Regulation, 2007, 51: 99-108. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (393.38 mM; with sonication) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.83 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, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix well; then add 50 μL Tween-80 to the above system and mix well; then add 450 μL saline to make it 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: ≥ 2.5 mg/mL (9.83 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, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD in saline and mix well. *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: ≥ 2.5 mg/mL (9.83 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, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9338 mL | 19.6688 mL | 39.3376 mL | |
| 5 mM | 0.7868 mL | 3.9338 mL | 7.8675 mL | |
| 10 mM | 0.3934 mL | 1.9669 mL | 3.9338 mL |