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Aurora A inhibitor 4

CAT: 0931-T204214-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204214-01Size:10 mg
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CAS Number
371224-09-8
Target
Aurora Kinase
Related Pathways
Chromatin/Epigenetic, Cell Cycle/Checkpoint
Bioactivity
Aurora A inhibitor4 (compound C9) is a potent inhibitor of Aurora A, with GI50 values of 4.26 μM in DU 145 cells and 7.08 μM in HT-29 cells.
Smiles
O=C1N=C(NC=2N=C3C=CC(OCC)=CC3=C(N2)C)NC(C4=CC=C(OC)C=C4)C1
Molecular Formula
C22H23N5O3
Molecular Weight
405.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((6-Ethoxy-4-methylquinazolin-2-yl)amino)-6-(4-methoxyphenyl)-5,6-dihydropyrimidin-4(3H)-one
CAS Number371224-09-8
PubChem CID3147411
IUPAC Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
Molecular FormulaC22H23N5O3
Molecular Weight405.4
XLogP2.7
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity622
SMILES
CCOC1=CC2=C(N=C(N=C2C=C1)NC3=NC(CC(=O)N3)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKey
KQAQQNMXXWWOOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((6-Ethoxy-4-methylquinazolin-2-yl)amino)-6-(4-methoxyphenyl)-5,6-dihydropyrimidin-4(3H)-one
CAS: 371224-09-8
CID: 3147411
Formula: C22H23N5O3
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass405.18008961
Monoisotopic Mass405.18008961
Topological Polar Surface Area97.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity622
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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