Dinaciclib
2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
Molecular Identity
Dinaciclib
2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
PubChem CID: 46926350
Dinaciclib is a 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. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a primary alcohol, a member of piperidines, a member of pyridine N-oxides, a pyrazolopyrimidine, a secondary amino compound and a tertiary amino compound.
2D Structure
Properties
C21H28N6O2
Molecular Formula
396.50
Molecular Weight
g/mol
396.2274
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
91.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
512
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dinaciclib779353-01-4SCH727965SCH 727965SCH-727965MK-79654V8ECV0NBQ2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]pyridin-1-ium-1-olatedinaciclibum2-((2S)-1-(3-ethyl-7-((1-oxidopyridin-1-ium-3-yl)methylamino)pyrazolo(1,5-a)pyrimidin-5-yl)piperidin-2-yl)ethanol3-(((3-ethyl-5-((2S)-2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)methyl)pyridin-1-ium-1-olateRefChem:588639CDK Inhibitor SCH 7279652-Piperidineethanol, 1-(3-ethyl-7-(((1-oxido-3-pyridinyl)methyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)-, (2S)-
Data from PubChem (NCBI)
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