CHEBI:75048 - dabrafenib mesylate

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ChEBI Name dabrafenib mesylate
ChEBI ID CHEBI:75048
Definition A methanesulfonate (mesylate) salt prepared from equimolar amounts of dabrafenib and methanesulfonic acid. Used for treatment of metastatic melanoma.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H24F3N5O5S3
Net Charge 0
Average Mass 615.66800
Monoisotopic Mass 615.08917
InChI InChI=1S/C23H20F3N5O2S2.CH4O3S/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4)
InChIKey YKGMKSIHIVVYKY-UHFFFAOYSA-N
SMILES CS(O)(=O)=O.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1
Roles Classification
Biological Role(s): B-Raf inhibitor
A serine/threonine kinase inhibitor that specifically inhibits human mutant serine/threonine kinase (B-Raf)
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing dabrafenib mesylate (CHEBI:75048) has part dabrafenib (CHEBI:75045)
dabrafenib mesylate (CHEBI:75048) has role antineoplastic agent (CHEBI:35610)
dabrafenib mesylate (CHEBI:75048) has role B-Raf inhibitor (CHEBI:75047)
dabrafenib mesylate (CHEBI:75048) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name
N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide methanesulfonate
Synonyms Sources
dabrafenib monomesylate ChEBI
GSK 2118436 ChemIDplus
GSK 2118436B ChemIDplus
Brand Name Source
Tafinlar KEGG DRUG
Manual Xrefs Databases
D10104 KEGG DRUG
Dabrafenib Wikipedia
WO2011047238 Patent
View more database links
Registry Numbers Types Sources
1195768-06-9 CAS Registry Number KEGG DRUG
1195768-06-9 CAS Registry Number ChemIDplus
19690182 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23035153 PubMed citation Europe PMC
23102194 PubMed citation Europe PMC
23881668 PubMed citation Europe PMC
Last Modified
31 July 2013