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Aurora inhibitor 1

CAT: 0931-T10412-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10412-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2227019-45-4
Target
Aurora Kinase
Related Pathways
Cell Cycle/Checkpoint, Chromatin/Epigenetic
Bioactivity
Aurora inhibitor 1 is a potent inhibitor of Aurora A and Aurora B kinases with IC50 values of ≤ 4 nM and ≤ 13 nM, respectively.
Smiles
N(C=1C=2N(C(=CN2)C=3C=NNC3)C=C(C)N1)C4=CC(C(NC(C)(C)C)C5=CC=CC=N5)=NS4
Molecular Formula
C23H25N9S
Molecular Weight
459.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aurora inhibitor 1
CAS Number2227019-45-4
PubChem CID51003133
IUPAC Name3-[(tert-butylamino)-pyridin-2-ylmethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
Molecular FormulaC23H25N9S
Molecular Weight459.6
XLogP3.4
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity646
SMILES
CC1=CN2C(=CN=C2C(=N1)NC3=CC(=NS3)C(C4=CC=CC=N4)NC(C)(C)C)C5=CNN=C5
InChI
InChI=1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29)
InChIKey
QTTGVGLTCILDCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurora inhibitor 1
CAS: 2227019-45-4
CID: 51003133
Formula: C23H25N9S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass459.19536301
Monoisotopic Mass459.19536301
Topological Polar Surface Area137 Ų
Heavy Atom Count33
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A4126-5Aurora A Inhibitor I
IWB83843-01Aurora A inhibitor II
MBS5806106Aurora A Inhibitor 1
HY-146037Aurora A inhibitor 2
HY-156378Aurora A inhibitor 3
HY-169735Aurora A inhibitor 4
GTR19206536-01Aurora inhibitor 1
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HY-149694Aurora kinase inhibitor-12
HY-U00304-01Aurora B inhibitor 1

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