GSK-3β-IN-30
GSK-3β-IN-30 is a glycogen synthase kinase-3β (GSK-3β) inhibitor. GSK-3β-IN-30 stabilizes its conformation in the binding pocket by occupying the ATP-binding cleft of GSK-3β, forming hydrogen bonds with Lys183 and Ser203, and establishing π-anion interactions with Asp181 and Asp200. GSK-3β-IN-30 can be used for the research of Alzheimer's disease.
For research use only. We do not sell to patients.
- Formula: C20H23N3OS
- Molecular Weight:353.48
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
IC50 & Target
[1]|
GSK-3β |
In Vitro
GSK-3β-IN-30 (SB1) has a predicted docking affinity of -7.16 kcal/mol in the active site of GSK-3β (PDB ID: 3GB2), forms predicted hydrogen bonds with Lys183 and Ser203, and forms π-anion interactions with Asp181 and Asp200; during 100 ns molecular dynamics simulation, GSK-3β-IN-30 maintains 3-6 persistent hydrogen bonds, and the predicted binding free energies by MM/GBSA and MM/PBSA are -27.68 kcal/mol and -26.85 kcal/mol, respectively[1].
GSK-3β-IN-30 exhibits blood-brain barrier permeability, high gastrointestinal absorption, moderate ESOL solubility, and acts as a P-gp substrate as predicted by SwissADME; ProTox-3.0 predicts its LD50 to be 2500 mg/kg, which falls into Toxicity Class 5[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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Molecular Weight 353.48
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Formula C20H23N3OS
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SMILES
COC1=CC=C2C(C=CC(C(C)SCC3=NN=C(C)N3C4CC4)=C2)=C1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
GSK-3β-IN-30 Related Classifications
HY-187680 Related Classifications
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