478482-75-6

478482-75-6 structure

Name: GSK3β inhibitor II
Chemical Name: 2-[(3-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CAS Number: 478482-75-6
Molecular Formula: C₁₄H₁₀IN₃OS
Molecular Weight: 395.21800
Catalog: Signaling Pathways PI3K/Akt/mTOR GSK-3
Create Date: 2017-03-26 18:13:45
Modify Date: 2024-01-05 09:20:07
GSK3β inhibitor II is an inhibitor of GSK3β. GSK3β inhibitor II can be used for research of Alzheimer’s disease (AD)[1].

Name	2-[(3-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
Synonyms	GSK-3b Inhibitor II Glycogen Synthase Kinase-3beta Inhibitor II GSK-3 Inhibitor II GSK-3beta Inhibitor II 2-(3-iodobenzylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole 2-thio(3-iodobenzyl)-5-(1-pyridyl)-[1,3,4]oxadiazole HMS3229G14

Description	GSK3β inhibitor II is an inhibitor of GSK3β. GSK3β inhibitor II can be used for research of Alzheimer’s disease (AD)[1].
Related Catalog	Signaling Pathways >> Stem Cell/Wnt >> GSK-3 Research Areas >> Neurological Disease Signaling Pathways >> PI3K/Akt/mTOR >> GSK-3
Target	GSK-3β
In Vitro	GSK3β inhibitor II 与 Ile62、Phe67、Val70、Ala83 和 Leu188 具有疏水相互作用，与 Lys85 具有离子相互作用，以及与 Lys85 和 Val135 残基具有氢键相互作用[1]。 GSK3β inhibitor II 与 Val135[1] 形成氢键。
References	[1]. Elangovan ND, et al. 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.

Molecular Formula	C₁₄H₁₀IN₃OS
Molecular Weight	395.21800
Exact Mass	394.95900
PSA	77.11000
LogP	4.02850

49617-83-6

15264-63-8

478482-75-6

Literature: Lo Monte, Fabio; Kramer, Thomas; Gu, Jiamin; Anumala, Upendra Rao; Marinelli, Luciana; La Pietra, Valeria; Novellino, Ettore; Franco, Benedicte; Demedts, David; Van Leuven, Fred; Fuertes, Ana; Dominguez, Juan Manuel; Plotkin, Batya; Eldar-Finkelman, Hagit; Schmidt, Boris Journal of Medicinal Chemistry, 2012 , vol. 55, # 9 p. 4407 - 4424

15264-63-8

478482-75-6

Literature: Narum, Lars; Norskov-Lauritsen, Leif; Olesen, Preben H. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 11 p. 1525 - 1528

54-85-3

478482-75-6

55-22-1

478482-75-6

2459-09-8

478482-75-6

1570-45-2

478482-75-6

Literature: Lukas, Thomas J.; Schiltz, Gary E.; Arrat, Hasan; Scheidt, Karl; Siddique, Teepu Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 6 p. 1532 - 1537

Precursor 6
49617-83-6 15264-63-8 54-85-3 55-22-1
2459-09-8 1570-45-2
DownStream 0

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