Compound: Dinaciclib
SMILES: OCC[C@H]1N(c2nc3n(ncc3CC)c(c2)NCc4c[n+]([O-])ccc4)CCCC1
InChIKey: PIMQWRZWLQKKBJ-SFHVURJKSA-N
Synonyms: Dinaciclib, 779353-01-4, SCH727965, SCH 727965, SCH-727965, MK-7965, 4V8ECV0NBQ, 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]pyridin-1-ium-1-olate, dinaciclibum, 2-((2S)-1-(3-ethyl-7-((1-oxidopyridin-1-ium-3-yl)methylamino)pyrazolo(1,5-a)pyrimidin-5-yl)piperidin-2-yl)ethanol, 3-(((3-ethyl-5-((2S)-2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)methyl)pyridin-1-ium-1-olate, RefChem:588639, CDK Inhibitor SCH 727965, 2-Piperidineethanol, 1-(3-ethyl-7-(((1-oxido-3-pyridinyl)methyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)-, (2S)-, Dinaciclib (SCH727965), (2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol, (S)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)pyridine 1-oxide, MFCD16037702, 1-[3-Ethyl-7[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2(s)-piperidineethanol, DINACICLIB [INN], Dinaciclib (USAN/INN), DINACICLIB [USAN], DINACICLIB [WHO-DD], MLS006011034, GTPL7379, Dinaciclib (SCH727965)?, CHEMBL2103840, SCHEMBL12048446, SCHEMBL30176832, CHEBI:95060, GLXC-90115, BDBM50139171, EBC-17089, NSC747135, NSC764036, NSC800091, s2768, AKOS030526898, CCG-268610, CS-0541, DB12021, NSC-727135, NSC-747135, NSC-764036, NSC-800091, SDCCGSBI-0654457.P001, NCGC00346656-13, AC-32835, AS-17017, FD158760, HY-10492, SMR004702827, SY045420, DB-362421, SCH 727965,SCH727965, Dinaciclib, NS00072125, SW220016-1, D09604, EN300-23218095, BRD-K13662825-001-02-6, BRD-K13662825-001-07-5, Q15723091, (S)-3-((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide, (S)-3-[[[3-Ethyl-5-[2-(2-hydroxyethyl)-1-piperidyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine 1-Oxide, 1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2S-piperidineethanol, 2-PIPERIDINEETHANOL, 1-(3-ETHYL-7-(((1-OXIDO-3-PYRIDINYL)METHYL)AMINO)PYRAZOLO(1,5- A)PYRIMIDIN-5-YL)-, (2S)-, 3-[[[3-Ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine 1-oxide
Theoretical properties:
molecular_formula: C21H28N6O2
molecular_weight: 396.5 g/mol
exact_mass: 396.22737416 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 7
heavy_atom_count: 29
topological_polar_surface_area: 91.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 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.
chebi: A pyrazolopyrimidine that is pyrazolo[1,5-<em>a</em>]pyrimidine substituted by ethyl, (2<i>S</i>)-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.
chembl: DINACICLIB is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Dinaciclib (SCH-727965) is an experimental drug that inhibits cyclin-dependent kinases (CDKs). It is being evaluated in clinical trials for various cancer indications.
Dinaciclib is being developed by Merck & Co. It was granted orphan drug status by the FDA in 2011.