478482-75-6

• 常用中文名：GSK-3抑制剂II
• 常用英文名：GSK3β inhibitor II
• CAS号：478482-75-6
• 分子式：C₁₄H₁₀IN₃OS
• 分子量：395.21800
• 相关类别： 信号通路 PI3K/Akt/mTOR 信号通路 GSK-3
• 发布时间：2017-03-26 18:13:45
• 更新时间：2024-01-05 09:20:07
• GSK3β抑制剂II是一种GSK3α的抑制剂。GSK3β抑制剂II可用于阿尔茨海默病(AD)的研究[1]。

名称

• 中文名: GSK-3抑制剂II
• 英文名: 2-[(3-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
• 英文别名: 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

物化性质

• 分子式: C₁₄H₁₀IN₃OS
• 分子量: 395.21800
• 精确质量: 394.95900
• PSA: 77.11000
• LogP: 4.02850

生物活性

• 描述: GSK3β抑制剂II是一种GSK3α的抑制剂。GSK3β抑制剂II可用于阿尔茨海默病(AD)的研究[1]。
• 相关类别:
  信号通路 >> 干细胞及 Wnt 通路 >> GSK-3
  研究领域 >> 神经疾病
  信号通路 >> PI3K/Akt/mTOR 信号通路 >> GSK-3
• 靶点:

  GSK-3β

• 体外研究: GSK3β抑制剂II与 Ile62、Phe67、Val70、Ala83和 亮氨酸188具有疏水相互作用,与 赖氨酸85具有离子相互作用,以及与 赖氨酸85和 阀门135残基具有氢键相互作用[1]。 GSK3β抑制剂II与 阀门135[1]形成氢键。
• 参考文献:

  [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.

合成路线

49617-83-6 15264-63-8 ~% 478482-75-6

文献：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

文献：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

文献：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

55-22-1 ~% 478482-75-6

文献：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

2459-09-8 ~% 478482-75-6

文献：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

1570-45-2 ~% 478482-75-6

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

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