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LY2090314

CAT: 1410-M15255-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M15255-07Size:100 mg
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Description
LY2090314 is a potent GSK-3 inhibitor for GSK-3α/β with IC50 of 1.5 nM/0.9 nM.
CAS Number
603288-22-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
512.53
Molecular Formula
C28H25FN6O3
Notes
Research use only, not for human use.
Receptor
GSK-3α| GSK-3β

Chemical Information

Ly-2090314

LY-2090314 is a member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer. It has a role as a Wnt signalling activator, an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a diazepinoindole, an imidazopyridine, a member of ureas, a piperidinecarboxamide, a member of maleimides and a member of monofluorobenzenes.

CAS Number603288-22-8
PubChem CID10029385
IUPAC Name3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
Molecular FormulaC28H25FN6O3
Molecular Weight512.5
XLogP2.5
Topological Polar Surface Area92
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count38
Formal Charge0
Complexity1030
SMILES
C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7
InChI
InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
InChIKey
HRJWTAWVFDCTGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ly-2090314
CAS: 603288-22-8
CID: 10029385
Formula: C28H25FN6O3
MW: 512.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass512.19721684
Monoisotopic Mass512.19721684
Topological Polar Surface Area92 Ų
Heavy Atom Count38
Formal Charge0
Complexity1030
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

Alternative Products

CatalogName
A3570-100LY2090314
A12741-25LY2090314 25mg

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