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GSK-3α/β-IN-1

CAT: 0013-GTR19257695-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257695-01Size:50 mg
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Description
GSK-3α/β-IN-1 is a GSK-3α/β inhibitor with IC50 values of 0.265 μM for GSK-3α and 0.255 μM for GSK-3β. It also inhibits PKA with an IC50 of 0.188 μM. GSK-3α/β-IN-1 effectively reduces cell viability in three glioblastoma (GBM) cell lines (IC50: 3-6 μM over 72 hours) without being toxic to human astrocytes, and it exhibits good metabolic stability. Additionally, it shows potential central nervous system activity in a whole human blood-brain barrier (BBB) GBM model.
CAS Number
1574354-24-7
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Smiles
OC=1C=CC2=C (OC3=C2NC4=NN=CC4=C3C=5C=CC (=CC5) C (C) C) C1
Molecular Formula
C21H17N3O2
Molecular Weight
343.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(4-isopropylphenyl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-7-ol
CAS Number1574354-24-7
PubChem CID75357034
IUPAC Name10-(4-propan-2-ylphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
Molecular FormulaC21H17N3O2
Molecular Weight343.4
XLogP2.2
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity875
SMILES
CC(C)C1=CC=C(C=C1)C2=C3C(=C4C=CC(=O)C=C4O3)N=C5C2=CNN5
InChI
InChI=1S/C21H17N3O2/c1-11(2)12-3-5-13(6-4-12)18-16-10-22-24-21(16)23-19-15-8-7-14(25)9-17(15)26-20(18)19/h3-11H,1-2H3,(H2,22,23,24)
InChIKey
WGANLLIWTLNRFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-isopropylphenyl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-7-ol
CAS: 1574354-24-7
CID: 75357034
Formula: C21H17N3O2
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass343.132076794
Monoisotopic Mass343.132076794
Topological Polar Surface Area62.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity875
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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