CHEBI:31690 - imatinib methanesulfonate

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ChEBI Name imatinib methanesulfonate
ChEBI ID CHEBI:31690
Definition A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C29H31N7O.CH4O3S
C30H35N7O4S
Net Charge 0
Average Mass 589.70968
Monoisotopic Mass 589.247
InChI InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)
InChIKey YLMAHDNUQAMNNX-UHFFFAOYSA-N
SMILES CS(O)(=O)=O.CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Roles Classification
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing imatinib methanesulfonate (CHEBI:31690) has part imatinib (CHEBI:45783)
imatinib methanesulfonate (CHEBI:31690) has role antineoplastic agent (CHEBI:35610)
imatinib methanesulfonate (CHEBI:31690) has role apoptosis inducer (CHEBI:68495)
imatinib methanesulfonate (CHEBI:31690) has role tyrosine kinase inhibitor (CHEBI:38637)
imatinib methanesulfonate (CHEBI:31690) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name
4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide methanesulfonate
INN Source
imatinib mesilate DrugBank
Synonyms Sources
imatinib mesylate KEGG DRUG
imatinib methansulfonate DrugBank
imatinib monomesylate ChEBI
Brand Names Sources
Gleevec DrugBank
Glivec DrugBank
Manual Xrefs Databases
D01441 KEGG DRUG
DB00619 DrugBank
HMDB0014757 HMDB
RU2365587 Patent
WO2004106326 Patent
WO2011161689 Patent
WO9903854 Patent
View more database links
Registry Numbers Types Sources
10229624 Reaxys Registry Number Reaxys
10229624 Beilstein Registry Number Beilstein
220127-57-1 CAS Registry Number KEGG DRUG
220127-57-1 CAS Registry Number ChemIDplus
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Last Modified
24 April 2013