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Aurora kinase-IN-8

CAT: 0013-GTR19272952-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272952-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aurora kinase-IN-8 is a bioavailable inhibitor of Aurora kinases, with IC50 values of 2.8 nM for Aurora A kinase and 28.1 nM for Aurora B kinase. It disrupts spindle formation, causes G2/M phase arrest, and induces apoptosis (apoptosis) . This compound is applicable in cancer research, including studies on triple-negative breast cancer.
CAS Number
1911629-44-1
Smiles
N (C=1C2=C (C=C (C=C2) N3CCN (C) CC3) N=C (/C=C/C4=CC=CC=C4) N1) C=5C=C (C) NN5
Molecular Formula
C25H27N7
Molecular Weight
425.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine
CAS Number1911629-44-1
PubChem CID137331508
IUPAC Name7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine
Molecular FormulaC25H27N7
Molecular Weight425.5
XLogP4.7
Topological Polar Surface Area73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity613
SMILES
CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)N4CCN(CC4)C)/C=C/C5=CC=CC=C5
InChI
InChI=1S/C25H27N7/c1-18-16-24(30-29-18)28-25-21-10-9-20(32-14-12-31(2)13-15-32)17-22(21)26-23(27-25)11-8-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b11-8+
InChIKey
DKCSQCAVMRLWQW-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine
CAS: 1911629-44-1
CID: 137331508
Formula: C25H27N7
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass425.23279389
Monoisotopic Mass425.23279389
Topological Polar Surface Area73 Ų
Heavy Atom Count32
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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