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Aurora A inhibitor 2

CAT: 0804-HY-146037Size: 1 EachDry Ice: NoHazardous: No
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Description
Aurora A inhibitor 2 (Compound 16h) is a potent Aurora A kinase inhibitor with an IC50 of 21.94 nM. Aurora A inhibitor 2 induces caspase-dependent apoptosis in MDA-MB-231 cells[1].
CAS Number
2412144-74-0
UNSPSC
12352005
Target
Apoptosis; Aurora Kinase
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/aurora-a-inhibitor-2.html
Solubility
10 mM in DMSO
Smiles
CCC(NC1=NC2=CC=C(C3=CC4=C(N=CN(CCN5CCOCC5)C4=O)C=C3)C=C2N1)=O
Molecular Formula
C24H26N6O3
Molecular Weight
446.50
References & Citations
[1]Chengcheng Fan, et al. Design, synthesis, biological evaluation of 6- (2-amino-1H-benzo[d]imidazole-6-yl) quinazolin-4 (3H) -one derivatives as novel anticancer agents with Aurora kinase inhibition. Eur J Med Chem. 2020 Mar 15;190:112108.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Aurora A; Aurora B

Chemical Information

Aurora A inhibitor 2
CAS Number2412144-74-0
PubChem CID153521671
IUPAC NameN-[6-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide
Molecular FormulaC24H26N6O3
Molecular Weight446.5
XLogP1.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity742
SMILES
CCC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)N=CN(C4=O)CCN5CCOCC5
InChI
InChI=1S/C24H26N6O3/c1-2-22(31)28-24-26-20-6-4-17(14-21(20)27-24)16-3-5-19-18(13-16)23(32)30(15-25-19)8-7-29-9-11-33-12-10-29/h3-6,13-15H,2,7-12H2,1H3,(H2,26,27,28,31)
InChIKey
WKBADCPZJIWSRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurora A inhibitor 2
CAS: 2412144-74-0
CID: 153521671
Formula: C24H26N6O3
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass446.20663871
Monoisotopic Mass446.20663871
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity742
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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