GSK3β inhibitor II is an inhibitor (blocker/antagonist) of GSK3β. GSK3β inhibitor II may be utilized in Alzheimer's disease (AD) research.

Physicochemical Properties

Molecular Formula	C14H10IN3OS
Molecular Weight	395.219
Exact Mass	394.959
Elemental Analysis	C, 42.55; H, 2.55; I, 32.11; N, 10.63; O, 4.05; S, 8.11
CAS #	478482-75-6
PubChem CID	6539732
Appearance	White to off-white solid powder
LogP	4.028
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Complexity	304
Defined Atom Stereocenter Count	0
InChi Key	ZRHRPGSSSVYBRG-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
Chemical Name	Pyridine, 4-[5-[[(3-iodophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]-
Synonyms	Glycogen synthase kinase 3β inhibitor II; GSK-3 inhibitor II; KIN 001-042; KIN-001-042; KIN001-042; KIN001042; KIN 001042; KIN-001042;
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	GSK3β inhibitor II reacts ionic to Lys85, hydrogen bonds to Lys85 and Val135 residues, and correspondingly to Ile62, Phe67, Val70, Ala83, and Leu188 residues [1]. Val135 and GSK3β inhibitor II establish a hydrogen bond[1].
References	[1]. Screening of potential drug for Alzheimer's disease: a computational study with GSK-3 β inhibition through virtual screening, docking, and molecular dynamics simulation. J Biomol Struct Dyn. 2021 Nov;39(18):7065-7079.
Additional Infomation	2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole is an aryl sulfide.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~126.51 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.26 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5302 mL	12.6512 mL	25.3024 mL
	5 mM	0.5060 mL	2.5302 mL	5.0605 mL
	10 mM	0.2530 mL	1.2651 mL	2.5302 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.