CAS Number4991-65-5
Synonyms6-Hydroxy-2-oxo-1,3-benzoxathiole; Camyna; Stepin; MFCD00005859; Acnosan; 6-Hydroxybenzo[d][1,3]oxathiol-2-one; EINECS 225-653-0; tioxolone; 6-Hydroxy-1,3-benzoxathiol-2-one
Molecular FormulaC7H4O3S
Molecular Weight168.170
Purity98.00%
Density1.6±0.1 g/cm3
Boiling Point377.8±44.0 °C at 760 mmHg
Melting Point158-160 °C(lit.)
AppearanceLight yellow to beige powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4991-65-5 |
| Catalog No. | 2A-9031362 |
| Chinese Name | 噻克索酮 |
| Synonyms | 6-Hydroxy-2-oxo-1,3-benzoxathiole; Camyna; Stepin; MFCD00005859; Acnosan; 6-Hydroxybenzo[d][1,3]oxathiol-2-one; EINECS 225-653-0; tioxolone; 6-Hydroxy-1,3-benzoxathiol-2-one |
| Molecular Formula | C7H4O3S |
| Molecular Weight | 168.170 |
| Purity | 98.00 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 377.8±44.0 °C at 760 mmHg |
| Melting Point | 158-160 °C(lit.) |
| Appearance | Light yellow to beige powder |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | Tioxolone is an inhibitor of the metalloenzyme carbonic anhydrase I and has anti-acne activity. |
| HTC | 2930909090 |
| SMILES | O=c1oc2cc(O)ccc2s1 |
| InChI | InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H |
| InChI Key | SLYPOVJCSQHITR-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/31362_2_4991_65_5.pdf |
| Bioactivity | 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. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Carbonic Anhydrase Research Areas >> Metabolic Disease References [1]. http://en.wikipedia.org/wiki/Tioxolone Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 377.8±44.0 °C at 760 mmHg Melting Point 158-160 °C(lit.) Molecular Formula C7H4O3S Molecular Weight 168.170 Flash Point 182.3±28.4 °C Exact Mass 167.988113 PSA 78.68000 LogP 1.77 Vapour Pressure 0.0±0.9 mmHg at 25°C Index of Refraction 1.718 InChIKey SLYPOVJCSQHITR-UHFFFAOYSA-N SMILES O=c1oc2cc(O)ccc2s1 |
| Use of | 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. Properties Articles10 Name tioxolone Synonym More Synonyms tioxolone Biological Activity 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. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Carbonic Anhydrase Research Areas >> Metabolic Disease References [1]. http://en.wikipedia.org/wiki/Tioxolone Chemical & Physical Properties Molecular Formula C7H4O3S Exact Mass 167.988113 PSA 78.68000 Index of Refraction 1.718 InChIKey SLYPOVJCSQHITR-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 99.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available The company is not responsible for any damage caused by any operation or contact with the above products. For more terms of use, see invoice or package The reverse side of the mounting strip. |
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