CHEBI:76004 - dimethyl fumarate

ChEBI IDCHEBI:76004
ChEBI Namedimethyl fumarate
Stars
DefinitionAn enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC6H8O4
Net Charge0
Average Mass144.126
Monoisotopic Mass144.04226
SMILESCOC(=O)/C=C/C(=O)OC
InChIInChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKeyLDCRTTXIJACKKU-ONEGZZNKSA-N
Wikipedia
Roles Classification
Biological Roles:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
antiviral agent  A substance that destroys or inhibits replication of viruses.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
Applications:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
antipsoriatic  A drug used to treat psoriasis.
ChEBI Ontology
Outgoing Relation(s)
dimethyl fumarate (CHEBI:76004) has functional parent fumaric acid (CHEBI:18012)
dimethyl fumarate (CHEBI:76004) has functional parent methanol (CHEBI:17790)
dimethyl fumarate (CHEBI:76004) has role antineoplastic agent (CHEBI:35610)
dimethyl fumarate (CHEBI:76004) has role antipsoriatic (CHEBI:50748)
dimethyl fumarate (CHEBI:76004) has role antirheumatic drug (CHEBI:35842)
dimethyl fumarate (CHEBI:76004) has role antiviral agent (CHEBI:22587)
dimethyl fumarate (CHEBI:76004) has role immunomodulator (CHEBI:50846)
dimethyl fumarate (CHEBI:76004) has role immunosuppressive agent (CHEBI:35705)
dimethyl fumarate (CHEBI:76004) is a diester (CHEBI:51307)
dimethyl fumarate (CHEBI:76004) is a enoate ester (CHEBI:51702)
dimethyl fumarate (CHEBI:76004) is a methyl ester (CHEBI:25248)
IUPAC Name 
dimethyl (2E)-but-2-enedioate
Synonyms  Source
1,2-bis(methoxycarbonyl)-trans-ethyleneHMDB
AZL 0 211089ChEMBL
AZL-0211089ChEMBL
AZL O 211089ChEMBL
AZL-O-211089ChEMBL
BG 00012ChEMBL
Brand Names  Source
Dimethyl fumarate accordChEMBL
Dimethyl fumarate mylanChEMBL
Dimethyl fumarate neuraxpharmChEMBL
Dimethyl fumarate polpharmaChEMBL
Dimethyl fumarate tevaChEMBL
SkilarenceChEMBL
Manual XrefsDatabases
4757DrugCentral
D03846KEGG DRUG
DB08908DrugBank
Dimethyl_fumarateWikipedia
HMDB0031257HMDB
US2008089861Patent
WO2011100589Patent
Registry NumbersSources
Reaxys:774590Reaxys
CAS:624-49-7NIST Chemistry WebBook
CAS:624-49-7KEGG DRUG
CAS:624-49-7ChemIDplus
Citations