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CHEBI:67155 - mycophenolate sodium

Default Structure
ChEBI IDCHEBI:67155
ChEBI Namemycophenolate sodium
Stars
DefinitionAn organic sodium salt that is the sodium salt of mycophenolic acid. An immunosuppressant, it is widely used to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.
Last Modified1 October 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H19O6.Na
Net Charge0
Average Mass342.323
Monoisotopic Mass342.10793
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2.[Na+]
InChIInChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;
InChIKeyDOZYTHNHLLSNIK-JOKMOOFLSA-M
Roles Classification
Biological Roles:
EC 1.1.1.205 (IMP dehydrogenase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of IMP dehydrogenase (EC 1.1.1.205), so blocking de novo biosynthesis of purine nucleotides.
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:
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
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.
ChEBI Ontology
Outgoing Relation(s)
mycophenolate sodium (CHEBI:67155) has part mycophenolate (CHEBI:62932)
mycophenolate sodium (CHEBI:67155) has role anti-inflammatory agent (CHEBI:67079)
mycophenolate sodium (CHEBI:67155) has role EC 1.1.1.205 (IMP dehydrogenase) inhibitor (CHEBI:53746)
mycophenolate sodium (CHEBI:67155) has role immunosuppressive agent (CHEBI:35705)
mycophenolate sodium (CHEBI:67155) has role renoprotective agent (CHEBI:231911)
mycophenolate sodium (CHEBI:67155) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
Synonyms  Source
ERL 080ChEMBL
ERL-080ChEMBL
mycophenolic acid monosodium saltChemIDplus
mycophenolic acid sodium saltChemIDplus
Mycophenolic sodChEMBL
Mycophenolic sodiumChEMBL
Brand Names  Source
CeptavaChEMBL
MyforticChemIDplus
Manual XrefsDatabases
D05095KEGG DRUG
Registry NumbersSources
Reaxys:7507586Reaxys
CAS:37415-62-6KEGG DRUG
CAS:37415-62-6ChemIDplus
Citations