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LY3295668

CAT: 1568-C13666-02Size: 10 mM / 1 mLDry Ice: NoHazardous: No
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CAT#:1568-C13666-02Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1919888-06-4
Synonyms
AK-01
SKU
C13666-5mg
Target
Aurora Kinase
Applications
Cell Cycle
Smiles
CC1CC (CCN1CC2=C (C (=CC=C2) Cl) F) (CC3=C (C=CC (=N3) NC4=NNC (=C4) C) F) C (=O) O
Molecular Formula
C24H26ClF2N5O2
Additionnal Information
LY3295668 (AK-01) is a potent, orally active and specific inhibitor of Aurora A kinase with Ki of 0.8 nM and 1038 nM for AURKA and AURKB, respectively.
Storage Conditions
3 years -20°C powder

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

CatalogName
MBS3841846-01LY3295668
A16869-25LY3295668 25mg
A16869-100LY3295668 100mg
A16869-1LY3295668 1mg
HY-114258ALY3295668 (erbumine)
A16869-200LY3295668 200mg
A16869-50LY3295668 50mg
A16869-10LY3295668 10mg
A16869-5LY3295668 5mg
GTR19274902-01LY3295668 erbumine

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