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Aurora Kinases-IN-3

CAT: 0013-GTR19212745-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212745-01Size:25 mg
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Description
Aurora Kinases-IN-3 is an orally bioavailable inhibitor of Aurora B kinase (AURKB) . Its primary mechanism involves disrupting the mitotic localization of AURKB rather than directly blocking its kinase activity toward histone H3. This compound is a valuable research tool for studying mitotic progression and has demonstrated utility in both cellular and in vivo models of cancer research.
CAS Number
2840558-83-8
Field of Research
Cell Biology, Epigenetics & Chromatin
Smiles
O (C1=C (C=CC=N1) C=2C=C (OC) N=CC2) C3=CC (C (NC) =O) =CC (OC (F) (F) F) =C3
Molecular Formula
C20H16F3N3O4
Molecular Weight
419.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aurora Kinases-IN-3
CAS Number2840558-83-8
PubChem CID166176934
IUPAC Name3-[[3-(2-methoxy-4-pyridinyl)-2-pyridinyl]oxy]-N-methyl-5-(trifluoromethoxy)benzamide
Molecular FormulaC20H16F3N3O4
Molecular Weight419.4
XLogP4
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
CNC(=O)C1=CC(=CC(=C1)OC(F)(F)F)OC2=C(C=CC=N2)C3=CC(=NC=C3)OC
InChI
InChI=1S/C20H16F3N3O4/c1-24-18(27)13-8-14(11-15(9-13)30-20(21,22)23)29-19-16(4-3-6-26-19)12-5-7-25-17(10-12)28-2/h3-11H,1-2H3,(H,24,27)
InChIKey
NVMJCTQSUKIXBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurora Kinases-IN-3
CAS: 2840558-83-8
CID: 166176934
Formula: C20H16F3N3O4
MW: 419.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass419.10929049
Monoisotopic Mass419.10929049
Topological Polar Surface Area82.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
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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Alternative Products

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MBS5814866Aurora Kinases-IN-3
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