Tioxolone - ≥98%, high purity , CAS No.4991-65-5

  • ≥98%
Item Number
T129829
Grouped product items
SKUSizeAvailabilityPrice Qty
T129829-1g
1g
In stock
$70.90
T129829-5g
5g
In stock
$319.90
T129829-25g
25g
In stock
$1,437.90
T129829-100g
100g
In stock
$5,175.90

Basic Description

Synonyms1,3-Benzoxathiol-2-one, 6-hydroxy- | EINECS 225-653-0 | HMS3656G22 | SCHEMBL36433 | 6-HYDROXY-1,3-BENZOXANTHIOL-2-ONE | BDBM50252093 | BRD-K41876534-001-02-0 | SW219434-1 | AB00052428-08 | Tioxolone [INN:BAN:DCF] | 6-Hydro-2-oxo-1,3-benzoxathiole | H0740
Specifications & Purity≥98%
Shipped InNormal
Product Description

Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor with a Ki of 91 nM.
It was used in the synthesis of heterocycle-phosphor esters having potential antimicrobial activity

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase EHMT2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA5A Tclin Carbonic anhydrase 5A, mitochondrial (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CBX1 Tbio Chromobox protein homolog 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GMNN Tbio Geminin (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D3 receptor (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC6 Tclin Histone deacetylase 6 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FEN1 Tchem Flap endonuclease 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TXNRD1 Tclin Thioredoxin reductase 1, cytoplasmic (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA5B Tclin Carbonic anhydrase 5B, mitochondrial (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA6 Tclin Carbonic anhydrase 6 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA13 Tclin Carbonic anhydrase 13 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA1 Tclin Carbonic anhydrase 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA3 Tclin Carbonic anhydrase 3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA4 Tclin Carbonic anhydrase 4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA12 Tclin Carbonic anhydrase 12 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA14 Tclin Carbonic anhydrase 14 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA7 Tclin Carbonic anhydrase 7 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOB Tclin Amine oxidase [flavin-containing] B (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Amine oxidase [flavin-containing] A (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TARDBP Tchem TAR DNA-binding protein 43 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAPT Tclin Microtubule-associated protein tau (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTT Tchem Huntingtin (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GLS Tchem Glutaminase kidney isoform, mitochondrial (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALPI Tchem Intestinal-type alkaline phosphatase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALPL Tchem Alkaline phosphatase, tissue-nonspecific isozyme (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALPG Tchem Alkaline phosphatase, germ cell type (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA3 Tclin Carbonic anhydrase III (753 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA6 Tclin Carbonic anhydrase VI (993 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5B Tclin Carbonic anhydrase VB (957 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA14 Tclin Carbonic anhydrase XIV (1305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALPG Tchem Alkaline phosphatase placental-like (1197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALPL Tchem Alkaline phosphatase, tissue-nonspecific isozyme (1551 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca7 Carbonic anhydrase VII (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca13 Carbonic anhydrase XIII (322 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Iap Intestinal alkaline phosphatase (419 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca15 Carbonic anhydrase 15 (173 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Large T antigen (1457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

Pubchem Sid488184680
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488184680
IUPAC Name 6-hydroxy-1,3-benzoxathiol-2-one
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
Canonical SMILES C1=CC2=C(C=C1O)OC(=O)S2
Isomeric SMILES C1=CC2=C(C=C1O)OC(=O)S2
WGK Germany 3
RTECS DM2953750
PubChem CID 72139
Molecular Weight 168.17

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
E2320373Certificate of AnalysisApr 07, 2023 T129829
E2320374Certificate of AnalysisApr 07, 2023 T129829
E2320375Certificate of AnalysisApr 07, 2023 T129829
E2320377Certificate of AnalysisApr 07, 2023 T129829
E2320388Certificate of AnalysisApr 07, 2023 T129829
E2320409Certificate of AnalysisApr 07, 2023 T129829
E2320412Certificate of AnalysisApr 07, 2023 T129829
E2320413Certificate of AnalysisApr 07, 2023 T129829

Chemical and Physical Properties

Solubility95% ethanol: soluble 50 mg/mL, clear to very slightly hazy, colorless to yellow;benzene: soluble;diethyl ether: soluble;isopropanol: soluble;propylene glycol: soluble;toluene: soluble;water: insoluble
Melt Point(°C)158-160°C

Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

H302:Harmful if swallowed

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352:IF ON SKIN: wash with plenty of water.

P321:Specific treatment (see ... on this label).

P405:Store locked up.

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P271:Use only outdoors or in a well-ventilated area.

P270:Do not eat, drink or smoke when using this product.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P403+P233:Store in a well-ventilated place. Keep container tightly closed.

P362+P364:Take off contaminated clothing and wash it before reuse.

P330:Rinse mouth.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P317:IF SWALLOWED: Get medical help.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

P319:Get medical help if you feel unwell.

WGK Germany 3
RTECS DM2953750

Related Documents

References

1. H Näher,P J Frosch.  (1987-10-01)  Contact dermatitis to thioxolone..  Contact dermatitis,  17  ((4)): (250-251).  [PMID:2962826]
2. J G Camarasa.  (1981-07-01)  Contact dermatitis to thioxolone..  Contact dermatitis,  ((4)): (213-214).  [PMID:7326929]
3. Albert A Barrese,Caroli Genis,S Zoe Fisher,Jared N Orwenyo,Mudalige Thilak Kumara,Subodh K Dutta,Eric Phillips,James J Kiddle,Chingkuang Tu,David N Silverman,Lakshmanan Govindasamy,Mavis Agbandje-McKenna,Robert McKenna,Brian C Tripp.  (2008-02-13)  Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study..  Biochemistry,  47  ((10)): (3174-3184).  [PMID:18266323]
4. Alessio Innocenti,Alfonso Maresca,Andrea Scozzafava,Claudiu T Supuran.  (2008-06-24)  Carbonic anhydrase inhibitors: thioxolone versus sulfonamides for obtaining isozyme-selective inhibitors?.  Bioorganic & medicinal chemistry letters,  18  ((14)): (3938-3941).  [PMID:18572406]
5. Keith Miller,Colin J Dunsmore,Jennifer A Leeds,Simon G Patching,Meena Sachdeva,Katy L Blake,William J Stubbings,Katie J Simmons,Peter J F Henderson,Joe De Los Angeles,Colin W G Fishwick,Ian Chopra.  (2010-09-24)  Benzothioxalone derivatives as novel inhibitors of UDP-N-acetylglucosamine enolpyruvyl transferases (MurA and MurZ)..  The Journal of antimicrobial chemotherapy,  65  ((12)): (2566-2573).  [PMID:20861142]
6. J M Varga,G Kalchschmid,G F Klein,P Fritsch.  (1991-06-01)  Mechanism of allergic cross-reactions--I. Multispecific binding of ligands to a mouse monoclonal anti-DNP IgE antibody..  Molecular immunology,  28  ((6)): (641-654).  [PMID:1650428]
7. H Goeth,A Wildfeuer.  (1969-08-01)  [Antimicrobial and cytostatic properties of 6-hydroxy-1,3-benzoxathiol-2-one (01 1)]..  Arzneimittel-Forschung,  19  ((8)): (1298-1304).  [PMID:4980240]
8. F Villas Martinez,A Joral Badas,J F Garmendia Goitia.  (1993-08-01)  Contact dermatitis from thioxolone..  Contact dermatitis,  29  ((2)): (96-96).  [PMID:8365186]
9. Maureen Byres,Philip J Cox.  (2004-06-05)  The supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one (tioxolone)..  Acta crystallographica. Section C, Crystal structure communications,  60  ((Pt 6)): (o395-o396).  [PMID:15178861]

Solution Calculators