CHEBI:75048 - dabrafenib mesylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dabrafenib mesylate
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.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
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)
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.
View more via ChEBI Ontology
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)
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
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