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779353-01-4

779353-01-4 Structure

779353-01-4 Structure
IdentificationMore
[Name]

(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol
[CAS]

779353-01-4
[Synonyms]

PS-095760
Dinaciclib
Sch 727965
Dinaciclib (SCH 727965)
(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol
2-Piperidineethanol, 1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-, (2S)-
(S)-3-((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyriMidin-7-ylaMino)Methyl)pyridine 1-oxide
3-[({8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolo[1,2-a]pyriMidin-4-yl}aMino)Methyl]pyridin-1-iuM-1-olate
(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol Dinaciclib (SCH727965)
[EINECS(EC#)]

214-589-6
[Molecular Formula]

C21H28N6O2
[MDL Number]

MFCD16037702
[MOL File]

779353-01-4.mol
[Molecular Weight]

396.486
Chemical PropertiesBack Directory
[Melting point ]

>78oC (dec.)
[density ]

1.33
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

15.15±0.10(Predicted)
[color ]

White to Light Beige
[Stability:]

Hygroscopic
[InChIKey]

PIMQWRZWLQKKBJ-SFHVURJKSA-N
[SMILES]

N1(C2C=C(NCC3C=CC=[N+]([O-])C=3)N3N=CC(CC)=C3N=2)CCCC[C@H]1CCO
[CAS DataBase Reference]

779353-01-4
Hazard InformationBack Directory
[Usage]

Dinaciclib is a potent and selective inhibitor of cyclin-dependent kinases which is undergoing development as oncology therapeutics.
[Uses]

Dinaciclib is a potent and selective inhibitor of cyclin-dependent kinases which is undergoing development as oncology therapeutics.
[Definition]

ChEBI: 2-[(2S)-1-[3-ethyl-7-[(1-oxido-3-pyridin-1-iumyl)methylamino]-5-pyrazolo[1,5-a]pyrimidinyl]-2-piperidinyl]ethanol is a pyrazolopyrimidine.
[Biological Activity]

dinaciclib is a potent cyclin-dependent kinase (cdk) inhibitor with ic50s for cdk2, cdk5, cdk1 and cdk9 at 1 nm, 1 nm, 3 nm, and 4 nm, respectively. [1] it is in phase i or ii
[target]

CDK2
[storage]

Store at -20°C
[References]

[1]parry d., et al. (2010). dinaciclib (sch 727965), a novel and potent cyclin-dependent kinase inhibitor. mol cancer ther (9): 2344- 2353.
[2]martin, m. p., et al. (2013). cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains. acs chemical biology 8 (11): 2360–5.
[3]payton m., et al. (2006). discovery and evaluation of dual cdk1 and cdk2 inhibitors. cancer res 66: 4299-4308.
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
[Signal word ]

Danger
[Hazard statements ]

H319-H340-H372-H315
[Precautionary statements ]

P260-P264-P270-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol(779353-01-4)MS
(2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol(779353-01-4)1HNMR
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