Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor with a Ki of 91 nM. Tioxolone lacks sulfonamide, sulfamate, or hydroxamate functional groups that are typically found in therapeutic carbonic anhydrase (CA) inhibitors, such as acetazolamide. Tioxolone is proposed to be a prodrug inhibitor that is cleaved via a CA II zinc-hydroxide mechanism known to catalyze the hydrolysis of esters. When tioxolone binds in the active site of CA II, it is cleaved and forms 4-mercaptobenzene-1,3-diol via the intermediate S- (2,4-thiophenyl) hydrogen thiocarbonate. The esterase cleavage product binds to the zinc active site via the thiol group and is therefore the active CA inhibitor, while the intermediate is located at the rim of the active-site cavity.
| Molecular Weight | 168.17 |
| Formula | C7H4O3S |
| CAS Number | 4991-65-5 |
| Form | Solid |
| Solubility (25°C) | DMSO 30 mg/mL |
| Storage |
Powder -20°C 3 years ; 4°C 2 years In solvent -80°C 6 months ; -20°C 1 month |
| Species | Mouse | Rat | Rabbit | Guinea pig | Hamster | Dog |
| Weight (kg) | 0.02 | 0.15 | 1.8 | 0.4 | 0.08 | 10 |
| Body Surface Area (m2) | 0.007 | 0.025 | 0.15 | 0.05 | 0.02 | 0.5 |
| Km factor | 3 | 6 | 12 | 8 | 5 | 20 |
| Animal A (mg/kg) = Animal B (mg/kg) multiplied by | Animal B Km |
| Animal A Km |
For example, to modify the dose of Compound A used for a mouse (20 mg/kg) to a dose based on the BSA for a rat, multiply 20 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for Compound A of 10 mg/kg.
| Related Carbonic Anhydrase Products |
|---|
| Acetazolamide sodium
Acetazolamide sodium is a carbonic anhydrase (CA) IX inhibitor with an IC50 of 30 nM for hCA IX.Acetazolamide reduces the production of intraocular aqueous humor and may be used in glaucoma-related studies. |
| WES-1
WES-1 is an inhibitor of carbonic anhydrase IX (Ki: 55.9 μM). |
| CA inhibitor 2
CA inhibitor 2 is a carbonic anhydrase inhibitor (IC50: 0.033 μM). |
| hCA XII-IN-6
hCA XII-IN-6 is a potent hCA XII inhibitor with a Ki value of 84.2 nM. |
| Carbonic anhydrase inhibitor 15
Carbonic anhydrase inhibitor 15 is a carbonic anhydrase inhibitor (Ki: 8.5 nM for hCA II). |
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