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ONCOII

CAT: 0931-T200086-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200086-01Size:25 mg
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CAS Number
1263564-94-8
Target
Kinesin
Related Pathways
Cytoskeletal Signaling
Bioactivity
ONCOII, an inhibitor of Mps1 with an IC50 of 10.8 nM, exhibits varying inhibitory activities depending on naturally occurring mutations within the Mps1 gene. Cells harboring Mps1 mutations demonstrate increased resistance to ONCOII. This compound is applicable in cancer research.
Smiles
N#CC1=CC=C(N=C1NC2CCCCC2)NC=3C=CC(=C(OCC#N)C3)C=4C=NN(C4)C
Molecular Formula
C24H25N7O
Molecular Weight
427.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-{[3-(Cyanomethoxy)-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]amino}-2-(Cyclohexylamino)pyridine-3-Carbonitrile
CAS Number1263564-94-8
PubChem CID70799413
IUPAC Name6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile
Molecular FormulaC24H25N7O
Molecular Weight427.5
XLogP4.8
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity693
SMILES
CN1C=C(C=N1)C2=C(C=C(C=C2)NC3=NC(=C(C=C3)C#N)NC4CCCCC4)OCC#N
InChI
InChI=1S/C24H25N7O/c1-31-16-18(15-27-31)21-9-8-20(13-22(21)32-12-11-25)28-23-10-7-17(14-26)24(30-23)29-19-5-3-2-4-6-19/h7-10,13,15-16,19H,2-6,12H2,1H3,(H2,28,29,30)
InChIKey
OVHGMKGIRAADEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-{[3-(Cyanomethoxy)-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]amino}-2-(Cyclohexylamino)pyridine-3-Carbonitrile
CAS: 1263564-94-8
CID: 70799413
Formula: C24H25N7O
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass427.21205845
Monoisotopic Mass427.21205845
Topological Polar Surface Area112 Ų
Heavy Atom Count32
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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