loading...| Preferred Name |
palbociclib |
|
| Synonyms |
6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one palbociclib PD 332991 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one PD-0332991 PD 0332991 PD0332991 IBRANCE UNII-G9ZF61LE7G |
|
| Definitions |
A member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85993 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25792301 PMID:26036642 KEGG:D10372 PMID:25501126 PDBeChem:LQQ PMID:25524798 Reaxys:10219048 PMID:25494820 PMID:26030518 PMID:25417786 Wikipedia:Palbociclib PMID:25522918 PMID:25813205 PMID:25744718 CAS:571190-30-2 |
|
| definition |
A member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer. |
|
| formula |
C24H29N7O2 |
|
| has role | ||
| has_exact_synonym |
6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
palbociclib PD 332991 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one PD-0332991 PD 0332991 PD0332991 IBRANCE UNII-G9ZF61LE7G |
|
| id |
CHEBI:85993 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) |
|
| inchikey |
AHJRHEGDXFFMBM-UHFFFAOYSA-N |
|
| label |
palbociclib |
|
| mass |
447.53280 |
|
| monoisotopicmass |
447.23827 |
|
| notation |
CHEBI:85993 |
|
| prefLabel |
palbociclib |
|
| smiles |
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38932 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_76224 http://purl.obolibrary.org/obo/CHEBI_23493 http://purl.obolibrary.org/obo/CHEBI_38207 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38932 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_76224 http://purl.obolibrary.org/obo/CHEBI_23493 http://purl.obolibrary.org/obo/CHEBI_38207 |