GSK-3 Inhibitor II

Base Information

• Chemical Name: GSK-3 Inhibitor II
• CAS No.: 478482-75-6
• Molecular Formula: C14H10IN3OS
• Molecular Weight: 395.223
• DSSTox Substance ID: DTXSID10424894
• Nikkaji Number: J1.726.222J
• Wikidata: Q27077899
• Pharos Ligand ID: XRBW1YWPULF1
• ChEMBL ID: CHEMBL288064
• Mol file: 478482-75-6.mol

Synonyms:GSK-3 Inhibitor II;GSK-3beta Inhibitor II;478482-75-6;GSK-3b inhibitor II;GSK3|A Inhibitor II;2-[(3-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole;2-Thio(3-iodobenzyl)-5-(1-pyridyl)-[1,3,4]-oxadiazole;Pyridine, 4-[5-[[(3-iodophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]-;Pyridine,4-[5-[[(3-iodophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]-;GSK3beta Inhibitor II;TIBPO;D01MEP;K00026;BDBM8552;CHEMBL288064;GTPL5978;SCHEMBL5022122;CHEBI:91342;DTXSID10424894;HMS3229G14;HMS3265E17;HMS3265E18;HMS3265F17;HMS3265F18;HSCI1_000107;CCG-206842;HY-14679;MS-26647;oxadiazole-pyridyl containing compound 12;CS-0003507;BRD-K09991945-001-01-2;Q27077899;2-(3-Iodobenzylthio)-5-(4-pyridyl)-1,3,4-oxadiazole;Z2216900420;2-[(3-iodophenyl)methylsulfanyl]-5-(4-pyridyl)-1,3,4-oxadiazole;2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole;4-(5-{[(3-iodophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine

Chemical Property of GSK-3 Inhibitor II

Chemical Property:

• Boiling Point: 532.6±60.0 °C(Predicted)
• PKA: 0.97±0.10(Predicted)
• PSA: 77.11000
• Density: 1.79±0.1 g/cm3(Predicted)
• LogP: 4.02850
• Storage Temp.: -20C
• Solubility.: ≤3mg/ml in DMSO;10mg/ml in dimethyl formamide
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 394.95893
• Heavy Atom Count: 20
• Complexity: 304

Purity/Quality:

97% ^*data from raw suppliers

GSK-3β Inhibitor II - CAS 478482-75-6 - Calbiochem ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)CSC2=NN=C(O2)C3=CC=NC=C3

Technology Process of GSK-3 Inhibitor II

There total 5 articles about GSK-3 Inhibitor II which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

m-Iodobenzyl bromide (49617-83-6) + 5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol (15264-63-8) → GSK-3b Inhibitor II (478482-75-6)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/jm300309a

Reference yield:

5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol (15264-63-8) → GSK-3b Inhibitor II (478482-75-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(02)00169-5

Reference yield:

isoniazid (54-85-3,7640-37-1) → GSK-3b Inhibitor II (478482-75-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethanol / Reflux; Inert atmosphere

2: sodium hydroxide / N,N-dimethyl-formamide / 5 h / 20 °C / Inert atmosphere

With triethylamine; sodium hydroxide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm300309a

upstream raw materials:

5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol

isoniazid

m-Iodobenzyl bromide

isonicotinic acid ethylester

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