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Aurora Kinases-IN-2

CAT: 0931-T62484-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62484-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2241914-86-1
Target
Others, Aurora Kinase
Related Pathways
Others, Cell Cycle/Checkpoint, Chromatin/Epigenetic
Bioactivity
Aurora Kinases-IN-2 (compound 12Aj) is a potent inhibitor of Aurora kinases, with IC50 values of 90 nM for Aurora A and 152 nM for Aurora B, and is applicable in cancer research.
Smiles
CC=1C(=C(C)ON1)C2=NC(OC3=CC=C(C(NC4=CC(Cl)=CC=C4)=O)C=C3)=C(N)N=C2
Molecular Formula
C22H18ClN5O3
Molecular Weight
435.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aurora Kinases-IN-2
CAS Number2241914-86-1
PubChem CID156021373
IUPAC Name4-[3-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]oxy-N-(3-chlorophenyl)benzamide
Molecular FormulaC22H18ClN5O3
Molecular Weight435.9
XLogP3.7
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity606
SMILES
CC1=C(C(=NO1)C)C2=CN=C(C(=N2)OC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N
InChI
InChI=1S/C22H18ClN5O3/c1-12-19(13(2)31-28-12)18-11-25-20(24)22(27-18)30-17-8-6-14(7-9-17)21(29)26-16-5-3-4-15(23)10-16/h3-11H,1-2H3,(H2,24,25)(H,26,29)
InChIKey
RQMVMSIAPOLUTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurora Kinases-IN-2
CAS: 2241914-86-1
CID: 156021373
Formula: C22H18ClN5O3
MW: 435.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.9
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass435.1098171
Monoisotopic Mass435.1098171
Topological Polar Surface Area116 Ų
Heavy Atom Count31
Formal Charge0
Complexity606
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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T208227-01Aurora kinase inhibitor-12
T207392-01Aurora kinase inhibitor-14
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Alternative Products

CatalogName
MBS5805169Aurora Kinases-IN-2
MBS5820415Aurora Kinases-IN-4
GTR19212745-01Aurora Kinases-IN-3
048717-01Aurora Kinases (Aurora A/B/C) discontinued
HY-146037Aurora A inhibitor 2
GTR19276297-01Aurora-A ligand 2
sc-373856Aurora A (D-2)
HY-150592Aurora kinase-IN-2
1497Aurora kinase B Adenovirus (Ad-AURORA-2)
144214AURKA (Aurora 2, Aurora family kinase 1, Aurora/IPL1-related kinase 1)

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