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LY3295668

CAT: 0013-GTR19203605-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203605-06Size:100 mg
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Description
LY3295668 (AK-01) is a potent and highly selective Aurora A kinase inhibitor, exhibiting sub-nanomolar affinity (Ki = 0.8 nM) for Aurora A with over 1000-fold selectivity against Aurora B. This selectivity profile makes it a valuable chemical probe for investigating mitotic progression, centrosome maturation, and tumorigenesis in both cellular and animal models of cancer.
CAS Number
1919888-06-4
Product Name Alternative
LY 3295668, LY3295668, LY-3295668, Aurora A, AuroraKinase, Aurora Kinase, AK01, AK-01, AK 01
Field of Research
Cell Biology, Epigenetics & Chromatin
Purity
99.44% (May vary between batches)
Solubility
DMSO:90 mg/mL (183.69 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.74 mM)
Smiles
C[C@@H]1C[C@@] (Cc2nc (Nc3cc (C) [nH]n3) ccc2F) (CCN1Cc1cccc (Cl) c1F) C (O) =O
Molecular Formula
C24H26ClF2N5O2
Molecular Weight
489.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,4R)-1-((3-chloro-2-fluorophenyl)methyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)-2-methylpiperidine-4-carboxylic acid

Aurora A Kinase Inhibitor LY3295668 is an orally bioavailable inhibitor of the serine/threonine protein kinase aurora A, with potential antimitotic and antineoplastic activities. Upon administration, aurora A kinase inhibitor LY3295668 targets, binds to and inhibits the activity of aurora A kinase. This may result in disruption of the assembly of the mitotic spindle apparatus, disruption of chromosome segregation, inhibition of cell division and the induction of apoptosis in cells overexpressing aurora A kinase. Aurora A kinase, overexpressed in a wide variety of cancers, plays an essential role in the regulation of spindle assembly and mitosis.

CAS Number1919888-06-4
PubChem CID121333423
IUPAC Name(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
Molecular FormulaC24H26ClF2N5O2
Molecular Weight489.9
XLogP2.4
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity708
SMILES
C[C@@H]1C[C@](CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=C(C=CC(=N3)NC4=NNC(=C4)C)F)C(=O)O
InChI
InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1
InChIKey
YQQZZYYQTCPEAS-OYLFLEFRSA-N
Chemical Structure
2D Structure
2D structure of (2R,4R)-1-((3-chloro-2-fluorophenyl)methyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)-2-methylpiperidine-4-carboxylic acid
CAS: 1919888-06-4
CID: 121333423
Formula: C24H26ClF2N5O2
MW: 489.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.9
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass489.1743091
Monoisotopic Mass489.1743091
Topological Polar Surface Area94.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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MBS3841846-01LY3295668
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A16869-100LY3295668 100mg
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A16869-200LY3295668 200mg
A16869-50LY3295668 50mg
A16869-10LY3295668 10mg

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