TIOXOLONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4O3S
Molecular Weight	168.17
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C2SC(=O)OC2=C1

InChI

InChIKey=SLYPOVJCSQHITR-UHFFFAOYSA-N

InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H

HIDE SMILES / InChI

Molecular Formula	C7H4O3S
Molecular Weight	168.17
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/4980240
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/153995 | https://www.ncbi.nlm.nih.gov/pubmed/4989743 |

Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor, that has been used for psoriasis vulgaris and acne treatment. Tioxolone is reported to possess cytostatic, antipsoriatic, antibacterial and anti-mycotic properties. Tioxolone is also added to some cosmetics (e.g. hair shampoos and skin cleansers), due to claims for its oil-regulating and antibacterial properties.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Carbonic anhydrase I 62 Target ID: CHEMBL261 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18572406	Inhibitor 8297	0.091 µM [Ki]
Carbonic anhydrase II 88 Target ID: CHEMBL205 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18572406	Inhibitor 8297	1.77 µM [IC50]
Carbonic anhydrase III 2 Target ID: CHEMBL2885 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18572406	Inhibitor 8297	6.56 µM [Ki]
Carbonic anhydrase VI 16 Target ID: CHEMBL3025 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18572406	Inhibitor 8297	4.93 µM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Psoriasis 84 Sources: https://www.ncbi.nlm.nih.gov/pubmed/4989743/	Primary		Not Provided 504	Unknown Approved Use Unknown
Acne 98 Sources: https://www.ncbi.nlm.nih.gov/pubmed/153995	Primary		Approved 8429	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Inhibition profiling of human carbonic anhydrase II by high-throughput screening of structurally diverse, biologically active compounds.	2006 Oct	16858005

Patents

Sample Use Guides

In Vivo Use Guide

Recomended doses in cosmetics: Tioxolone Powder: 0.1 -0.5%; Tioxolone 5% Water Soluble: 2-10%

Route of Administration: Topical

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:45:57 GMT 2023` Edited by `admin` on `Fri Dec 15 15:45:57 GMT 2023`
Record UNII	S0FAJ1R9CD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TIOXOLONE

Official Name

English

TIOXOLONE [INCI]

Common Name

English

tioxolone [INN]

Common Name

English

TIOXOLONE [MI]

Common Name

English

TIOXOLONE [MART.]

Common Name

English

NSC-758240

Code

English

Tioxolone [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QD10AB03