loading...| Preferred Name |
neratinib |
|
| Synonyms |
(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide HKI 272 HKI-272 neratinib |
|
| Definitions |
A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enoylamido group at the 6-position, and an ethoxy group at the 7-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_61397 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:15715478 KEGG:D08950 CAS:698387-09-6 Reaxys:9971763 |
|
| definition |
A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enoylamido group at the 6-position, and an ethoxy group at the 7-position. |
|
| formula |
C30H29ClN6O3 |
|
| has_exact_synonym |
(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide HKI 272 HKI-272 neratinib |
|
| id |
CHEBI:61397 |
|
| in_subset | ||
| inchi |
InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ |
|
| inchikey |
JWNPDZNEKVCWMY-VQHVLOKHSA-N |
|
| label |
neratinib |
|
| mass |
557.050 |
|
| monoisotopicmass |
556.19897 |
|
| notation |
CHEBI:61397 |
|
| prefLabel |
neratinib |
|
| RO_0000087 | ||
| smiles |
C1(=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C(=C3)Cl)OCC4=NC=CC=C4)OCC)NC(/C=C/CN(C)C)=O |
|
| subClassOf |