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CHEBI:75991 - trametinib dimethyl sulfoxide

ChEBI IDCHEBI:75991
ChEBI Nametrametinib dimethyl sulfoxide
Stars
DefinitionAn addition compound obtained by combining equimolar amounts of trametinib and dimethyl sulfoxide. Used for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have not received prior BRAF inhibitor treatment.
Last Modified21 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC26H23FIN5O4.C2H6OS
Net Charge0
Average Mass693.539
Monoisotopic Mass693.09182
SMILESCC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.CS(C)=O
InChIInChI=1S/C26H23FIN5O4.C2H6OS/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34;1-4(2)3/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34);1-2H3
InChIKeyOQUFJVRYDFIQBW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
trametinib dimethyl sulfoxide (CHEBI:75991) has part dimethyl sulfoxide (CHEBI:28262)
trametinib dimethyl sulfoxide (CHEBI:75991) has part trametinib (CHEBI:75998)
trametinib dimethyl sulfoxide (CHEBI:75991) has role antineoplastic agent (CHEBI:35610)
trametinib dimethyl sulfoxide (CHEBI:75991) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
trametinib dimethyl sulfoxide (CHEBI:75991) is a addition compound (CHEBI:35504)
IUPAC Name 
N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide—(methylsulfinyl)methane (1/1)
Synonyms  Source
Trametinib DMSOChemIDplus
GSK1120212BChemIDplus
GSK1120212ChemIDplus
JTP 74057ChemIDplus
Brand Name  Source
MekinistKEGG DRUG
Manual XrefsDatabases
D10176KEGG DRUG
WO2005121142Patent
DB08911DrugBank
TrametinibWikipedia
Registry NumbersSources
Reaxys:12497280Reaxys
CAS:1187431-43-1ChemIDplus
CAS:1187431-43-1KEGG DRUG
Citations