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CHEBI:31690 - imatinib methanesulfonate
| 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: | 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. tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. |
| 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 |
| WO9903854 | Patent |
| WO2004106326 | Patent |
| DB00619 | DrugBank |
| WO2011161689 | Patent |
| RU2365587 | Patent |
| HMDB0014757 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10229624 | Reaxys |
| CAS:220127-57-1 | KEGG DRUG |
| CAS:220127-57-1 | ChemIDplus |
| Citations |
|---|