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Dinaciclib

CAT: 0804-HY-10492-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10492-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dinaciclib (SCH 727965) is a potent inhibitor of CDK, with IC50s of 1 nM, 1 nM, 3 nM, and 4 nM for CDK2, CDK5, CDK1, and CDK9, respectively[1].
CAS Number
779353-01-4
Product Name Alternative
SCH 727965
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; CDK
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Dinaciclib.html
Purity
99.80
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
OCC[C@H]1N(CCCC1)C2=NC3=C(C=NN3C(NCC4=C[N+]([O-])=CC=C4)=C2)CC
Molecular Formula
C21H28N6O2
Molecular Weight
396.49
Precautions
H302, H315, H319, H335
References & Citations
[1]Parry D, et al. Dinaciclib (SCH 727965), a novel and potent cyclin-dependent kinase inhibitor. Mol Cancer Ther. 2010 Aug;9 (8) :2344-53.|[2]Feldmann G, et al. Cyclin-dependent kinase inhibitor Dinaciclib (SCH727965) inhibits pancreatic cancer growth and progression in murine xenograft models. Cancer Biol Ther. 2011 Oct 1;12 (7) :598-609.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
CDK1; CDK2; CDK5; CDK9

Chemical Information

Dinaciclib

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.

CAS Number779353-01-4
PubChem CID46926350
IUPAC Name2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
Molecular FormulaC21H28N6O2
Molecular Weight396.5
XLogP1.9
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity512
SMILES
CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO
InChI
InChI=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
InChIKey
PIMQWRZWLQKKBJ-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Dinaciclib
CAS: 779353-01-4
CID: 46926350
Formula: C21H28N6O2
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass396.22737416
Monoisotopic Mass396.22737416
Topological Polar Surface Area91.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-364483ADinaciclib

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