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1-Azakenpaullone

CAT: 0957-S7193-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S7193-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
676596-65-9
Synonyms
1-Akp
Target
GSK-3
Applications
PI3K/Akt/mTOR
Smiles
C1C2=C (C3=C (C=CC=N3) NC1=O) NC4=C2C=C (C=C4) Br
Molecular Formula
C15 H10 Br N3 O
Additionnal Information
1-Azakenpaullone (1-Akp) is a potent and selective GSK-3β inhibitor with IC50 of 18 nM, >100-fold selectivity over CDK1/cyclin B and CDK5/p25.
Storage Conditions
2 years -80 in solvent

Chemical Information

Azakenpaullone

1-azakenpaullone is an organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively. It has a role as a Wnt signalling activator and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a lactam, an organobromine compound, an organonitrogen heterocyclic compound and an organic heterotetracyclic compound.

CAS Number676596-65-9
PubChem CID6538897
IUPAC Name14-bromo-3,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one
Molecular FormulaC15H10BrN3O
Molecular Weight328.16
XLogP2.2
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity405
SMILES
C1C2=C(C3=C(C=CC=N3)NC1=O)NC4=C2C=C(C=C4)Br
InChI
InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)
InChIKey
NTSBZVCEIVPKBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azakenpaullone
CAS: 676596-65-9
CID: 6538897
Formula: C15H10BrN3O
MW: 328.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.16
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass327.00072
Monoisotopic Mass327.00072
Topological Polar Surface Area57.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity405
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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CatalogName
B3690-51-Azakenpaullone

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