Physicochemical Properties
| Molecular Formula | C7H6O6S |
| Molecular Weight | 218.1839 |
| Exact Mass | 217.988 |
| CAS # | 97-05-2 |
| Related CAS # | 1837-99-6 (berrylium[1:1] salt);831-54-9 (mono-hydrochloride salt) |
| PubChem CID | 7322 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.8±0.1 g/cm3 |
| Melting Point | 120°C |
| Index of Refraction | 1.650 |
| LogP | -0.69 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 14 |
| Complexity | 316 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(C1C(O)=CC=C(S(O)(=O)=O)C=1)O |
| InChi Key | YCPXWRQRBFJBPZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C7H6O6S/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) |
| Chemical Name | 2-hydroxy-5-sulfobenzoic 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 |
| 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 (0.5-4 mM, 24 hours) decreases MCF-7 cell viability [1]. |
| Cell Assay |
Cytotoxicity assay [1] Cell Types: MCF-7 and HUVEC Cell Tested Concentrations: 0.5, 1, 2, 4 mM Incubation Duration: 24 hrs (hours) Experimental Results: The viability of MCF-7 and HUVEC control cells were 63.3% and 70.4% 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 Regul 51, 99 (2007). |
| Additional Infomation |
5-sulfosalicylic acid is an arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5. It has a role as a metabolite. It is an arenesulfonic acid, a member of benzoic acids and a member of phenols. It is functionally related to a benzoic acid and a phenol. 2-Hydroxy-5-sulfobenzoic acid has been reported in Bos taurus with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~1145.84 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.53 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 20.8 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: ≥ 2.08 mg/mL (9.53 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (9.53 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 20.8 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 | 4.5834 mL | 22.9169 mL | 45.8337 mL | |
| 5 mM | 0.9167 mL | 4.5834 mL | 9.1667 mL | |
| 10 mM | 0.4583 mL | 2.2917 mL | 4.5834 mL |