TioxoloneCAS# 4991-65-5 |
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Quality Control & MSDS
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Chemical structure
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| Cas No. | 4991-65-5 | SDF | Download SDF |
| PubChem ID | 72139 | Appearance | Powder |
| Formula | C7H4O3S | M.Wt | 168.17 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | DMSO : ≥ 100 mg/mL (594.64 mM) H2O : 0.67 mg/mL (3.98 mM; Need ultrasonic) *"≥" means soluble, but saturation unknown. | ||
| Chemical Name | 6-hydroxy-1,3-benzoxathiol-2-one | ||
| SMILES | C1=CC2=C(C=C1O)OC(=O)S2 | ||
| Standard InChIKey | SLYPOVJCSQHITR-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Tioxolone, a metalloenzyme carbonic anhydrase I inhibitor, is an anti-acne preparation.
Target: Carbonic Anhydrase
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. From Wikipedia. References: | |||||
Tioxolone Dilution Calculator
Tioxolone Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 5.9464 mL | 29.7318 mL | 59.4636 mL | 118.9273 mL | 148.6591 mL |
| 5 mM | 1.1893 mL | 5.9464 mL | 11.8927 mL | 23.7855 mL | 29.7318 mL |
| 10 mM | 0.5946 mL | 2.9732 mL | 5.9464 mL | 11.8927 mL | 14.8659 mL |
| 50 mM | 0.1189 mL | 0.5946 mL | 1.1893 mL | 2.3785 mL | 2.9732 mL |
| 100 mM | 0.0595 mL | 0.2973 mL | 0.5946 mL | 1.1893 mL | 1.4866 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor with a Ki of 91 nM.
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The supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one (tioxolone).[Pubmed:15178861]
Acta Crystallogr C. 2004 Jun;60(Pt 6):o395-6.
The planar molecules of 6-hydroxy-1,3-benzoxathiol-2-one, C(7)H(4)O(3)S, are linked by extensive O-H.O and C-H.O hydrogen bonding and are further stablilized by face-to-face pi-pi interactions.
Tioxolone, a metalloenzyme carbonic anhydrase I inhibitor, is an anti-acne preparation.
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