loading...| Preferred Name | osimertinib | |
| Synonyms |
mereletinib osimertinib osimertinibum N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide AZD 9291 AZD-9291 AZD9291 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide |
|
| Definitions |
A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90943 |
|
| alternative term |
mereletinib osimertinib osimertinibum N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide AZD 9291 AZD-9291 AZD9291 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
Reaxys:23334373 PMID:35015529 PMID:31446643 LINCS:LSM-6344 PMID:34734065 Wikipedia:Osimertinib PMID:34303194 PMID:30916819 PMID:30153097 PMID:26729184 PMID:33896242 Drug_Central:5062 CAS:1421373-65-0 PMID:26450446 PMID:30151614 PMID:30126856 PMID:30224350 PMID:26720671 PMID:26720284 PMID:29852038 PMID:30189719 DrugBank:DB09330 PMID:29151359 PMID:30194172 PMID:30358214 PMID:29999920 PMID:26515464 PMID:29782558 PMID:26620497 |
|
| definition |
A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. |
|
| formula |
C28H33N7O2 |
|
| has_exact_synonym |
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
mereletinib osimertinib osimertinibum N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide AZD 9291 AZD-9291 AZD9291 |
|
| id |
CHEBI:90943 |
|
| in_subset | ||
| inchi |
InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) |
|
| inchikey |
DUYJMQONPNNFPI-UHFFFAOYSA-N |
|
| is_conjugate_base_of | ||
| label |
osimertinib |
|
| mass |
499.608 |
|
| monoisotopicmass |
499.26957 |
|
| notation |
CHEBI:90943 |
|
| prefLabel |
osimertinib |
|
| RO_0000087 | ||
| smiles |
CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25235 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_24828 http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_22216 http://purl.obolibrary.org/obo/CHEBI_38338 http://purl.obolibrary.org/obo/CHEBI_48975 |