Physicochemical Properties
| Molecular Formula | C13H13N3O5S2 |
| Molecular Weight | 355.3894 |
| Exact Mass | 355.029 |
| CAS # | 116-43-8 |
| PubChem CID | 5315 |
| Appearance | White to off-white solid powder |
| Density | 1.6±0.1 g/cm3 |
| Melting Point | 187 - 193ºC |
| Index of Refraction | 1.679 |
| LogP | 0.68 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 23 |
| Complexity | 526 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(C1C([H])=C([H])C(=C([H])C=1[H])N([H])C(C([H])([H])C([H])([H])C(=O)O[H])=O)(N([H])C1=NC([H])=C([H])S1)(=O)=O |
| InChi Key | SKVLYVHULOWXTD-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19) |
| Chemical Name | 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic 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
| Additional Infomation | N-succinylsulfathiazole is a member of 1,3-thiazoles. It is functionally related to a sulfathiazole. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~281.38 mM) H2O : ~1 mg/mL (~2.81 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.03 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.03 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 25.0 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: ≥ 2.5 mg/mL (7.03 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 25.0 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 | 2.8138 mL | 14.0691 mL | 28.1381 mL | |
| 5 mM | 0.5628 mL | 2.8138 mL | 5.6276 mL | |
| 10 mM | 0.2814 mL | 1.4069 mL | 2.8138 mL |