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ChEBI
> Main
CHEBI:75048 - dabrafenib mesylate
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ChEBI Ontology
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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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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)
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.
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
)
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
Types
Sources
23035153
PubMed citation
Europe PMC
23102194
PubMed citation
Europe PMC
23881668
PubMed citation
Europe PMC
Last Modified
31 July 2013