imatinib methanesulfonate (CHEBI:31690)

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CHEBI:31690 - imatinib methanesulfonate

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ChEBI ID	CHEBI:31690
ChEBI Name	imatinib methanesulfonate
Stars
Definition	A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.
Last Modified	23 April 2020
Downloads	Molfile

Formula	C29H31N7O.CH4O3S
Net Charge	0
Average Mass	589.722
Monoisotopic Mass	589.24712
SMILES	CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
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

Roles Classification

Biological Roles:	tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	imatinib methanesulfonate (CHEBI:31690) has part imatinib (CHEBI:45783)
	imatinib methanesulfonate (CHEBI:31690) has role anticoronaviral agent (CHEBI:149553)
	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	Source
imatinib mesylate	KEGG DRUG
imatinib methansulfonate	DrugBank
imatinib monomesylate	ChEBI

Brand Names	Source
Gleevec	DrugBank
Glivec	DrugBank

Manual Xrefs	Databases
D01441	KEGG DRUG
DB00619	DrugBank
HMDB0014757	HMDB
RU2365587	Patent
WO2004106326	Patent
WO2011161689	Patent
WO9903854	Patent

Registry Numbers	Sources
Reaxys:10229624	Reaxys
CAS:220127-57-1	ChemIDplus
CAS:220127-57-1	KEGG DRUG

Citations