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Ergothioneine

Base Information
  • Chemical Name:Ergothioneine
  • CAS No.:497-30-3
  • Molecular Formula:C9H15N3O2S
  • Molecular Weight:229.303
  • Hs Code.:2933299090
  • European Community (EC) Number:207-843-5
  • UNII:BDZ3DQM98W
  • DSSTox Substance ID:DTXSID901020082
  • Wikipedia:Ergothioneine
  • Wikidata:Q614788
  • RXCUI:1314350
  • Metabolomics Workbench ID:38241
  • ChEMBL ID:CHEMBL5209630
  • Mol file:497-30-3.mol
Ergothioneine

Synonyms:2 Thiol L histidine betaine;2-Thiol-L-histidine-betaine;Ergothioneine;Thioneine

Suppliers and Price of Ergothioneine
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • L-(+)-Ergothioneine
  • 25mg
  • $ 230.00
  • Sigma-Aldrich
  • L-(+)-Ergothioneine
  • 5mg
  • $ 212.00
  • Sigma-Aldrich
  • L-(+)-Ergothioneine
  • 25mg
  • $ 903.00
  • Medical Isotopes, Inc.
  • L-(+)-Ergothioneine
  • 5 mg
  • $ 490.00
  • ChemScene
  • Ergothioneine 98.99%
  • 250mg
  • $ 165.00
  • ChemScene
  • Ergothioneine 98.99%
  • 100mg
  • $ 72.00
  • ChemScene
  • Ergothioneine 98.99%
  • 1g
  • $ 655.00
  • Chemenu
  • (S)-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate 95+%
  • 1g
  • $ 1544.00
  • Chemenu
  • (S)-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate 95+%
  • 100mg
  • $ 313.00
  • Chemenu
  • (S)-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate 95+%
  • 250mg
  • $ 531.00
Total 147 raw suppliers
Chemical Property of Ergothioneine
Chemical Property:
  • Appearance/Colour:White solid 
  • Melting Point:275-277 °C (dec.) 
  • Refractive Index:1.6740 (estimate) 
  • PSA:100.97000 
  • Density:1.2541 (rough estimate) 
  • LogP:0.77420 
  • Storage Temp.:−20°C 
  • Solubility.:Soluble in Water (up to 10 mg/ml) 
  • XLogP3:0.3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:3
  • Exact Mass:229.08849790
  • Heavy Atom Count:15
  • Complexity:314
Purity/Quality:

99% *data from raw suppliers

L-(+)-Ergothioneine *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-]
  • Isomeric SMILES:C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]
  • Recent ClinicalTrials:Taxifolin/Ergothioneine and Immune Biomarkers in Healthy Volunteers (TaxEr)
  • Description L-(+)-Ergothioneine is a naturally-occurring amino acid derived from histidine via hercynine. Ergothioneine is a stable antioxidant that scavenges and detoxifies free radicals and oxidants, increases intracellular thiol levels, controls nuclear factor-κB activation, and inhibits inflammatory gene expression. In addition, it inhibits the peroxynitrite-dependent nitration of nitrotyrosine, blocks oxidative DNA damage and cell death, and prevents the formation of xanthine and hypoxanthine. Ergothioneine is transported by the organic cation/carnitine transporter 1, which has been linked with autoimmune diseases, including rheumatoid arthritis and Crohn’s disease.
  • Uses L-(+)-Ergothioneine is a natural molecule isolated from the rye ergot fungus and later identified in rat erythrocytes and liver and in numerous other animal tissues. Its antioxidizing properties may afford the compound therapeutic potential or it may be used as a food additive or in cosmetics.
Technology Process of Ergothioneine

There total 20 articles about Ergothioneine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With hydrogenchloride; 5%-palladium/activated carbon; hydrogen; In methanol; water; for 20h; under 760.051 Torr;
Guidance literature:
2-{2-[(2-ammonio-2-carboxyethyl)thio]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethanaminium dihydrochloride; With 3-mercaptopropionic acid; In water; at 85 ℃; for 72h;
With ammonia; In water; pH=6;
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