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AZD1080

CAT: 0607-B1536-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1536-50Size:50 mg
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Description
GSK3βinhibitor
CAS Number
612487-72-6
Product Name Alternative
3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile
Field of Research
PI3K Akt mTOR Signaling GSK-3 Stem Cell GSK-3
Purity
0.9892
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥16.7 mg/mL in DMSO
Smiles
C1COCCN1CC2=CNC(=C3C4=C(C=CC(=C4)C#N)NC3=O)C=C2
Molecular Formula
C19H18N4O2
Molecular Weight
334.37
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Azd-1080

AZD1080 is a member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued). It has a role as a tau aggregation inhibitor, an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a nitrile, a member of pyridines, a member of morpholines, a tertiary amino compound and a member of hydroxyindoles.

CAS Number612487-72-6
PubChem CID135564570
IUPAC Name2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile
Molecular FormulaC19H18N4O2
Molecular Weight334.4
XLogP1.8
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity501
SMILES
C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O
InChI
InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
InChIKey
BLTVBQXJFVRPFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd-1080
CAS: 612487-72-6
CID: 135564570
Formula: C19H18N4O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass334.14297583
Monoisotopic Mass334.14297583
Topological Polar Surface Area85.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity501
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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