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CHEBI:95060 - dinaciclib

Default Structure
ChEBI IDCHEBI:95060
ChEBI Namedinaciclib
Stars
DefinitionA pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine substituted by ethyl, (2S)-2-(2-hydroxyethyl)piperidin-1-yl, and [(1-oxidopyridin-3-yl)methyl]amino groups at positions 3, 5, and 7, respectively. It is a potent pan-cyclin dependent kinase inhibitor that exhibits antineoplastic activity.
Last Modified8 July 2024
DownloadsMolfile
FormulaC21H28N6O2
Net Charge0
Average Mass396.495
Monoisotopic Mass396.22737
SMILESCCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12
InChIInChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
InChIKeyPIMQWRZWLQKKBJ-SFHVURJKSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
dinaciclib (CHEBI:95060) has role antineoplastic agent (CHEBI:35610)
dinaciclib (CHEBI:95060) has role apoptosis inducer (CHEBI:68495)
dinaciclib (CHEBI:95060) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
dinaciclib (CHEBI:95060) is a piperidines (CHEBI:26151)
dinaciclib (CHEBI:95060) is a primary alcohol (CHEBI:15734)
dinaciclib (CHEBI:95060) is a pyrazolopyrimidine (CHEBI:38669)
dinaciclib (CHEBI:95060) is a pyridine N-oxides (CHEBI:38189)
dinaciclib (CHEBI:95060) is a secondary amino compound (CHEBI:50995)
dinaciclib (CHEBI:95060) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2-[(2S)-1-(3-ethyl-7-{[(1-oxidopyridin-3-yl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)piperidin-2-yl]ethanol
INNs  Source
dinaciclibWHO MedNet
dinaciclibWHO MedNet
dinaciclibWHO MedNet
dinaciclibumWHO MedNet
Synonyms  Source
2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanolChEBI
(2S)-1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanolChEBI
MK 7965ChEBI
MK-7965ChEBI
MK7965ChEBI
SCH 727965DrugBank
Manual XrefsDatabases
1QKPDBeChem
D09604KEGG DRUG
DB12021DrugBank
DinaciclibWikipedia
LSM-6306LINCS
Registry NumbersSources
CAS:779353-01-4DrugBank
Citations