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Synthesis, Crystal Structure, Anti-Bone Cancer Activity and Molecular Docking Investigations of the Heterocyclic Compound 1-((2S,3S)-2-(Benzyloxy)Pentan-3-yl) -4-(4-(4-(4-Hydroxyphenyl)Piperazin-1-yl) Phenyl)-1H-1,2,4-Triazol-5(4H)-One

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Abstract

Heterocyclic compound 1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one (1) designed using 4-(4-(4-aminophenyl)piperazin-1-yl)phenol (2) and (S)-N′-(2-(benzyloxy)propylidene)formohydrazide (3) as start materials is successfully obtained via a multistep synthesis and finally characterized by IR, 1H NMR, and single crystal X-ray diffraction. In addition, the in vitro anticancer activities of newly synthesized compound 1 are evaluated against three human bone cancer cell lines U2OS, Saos-2, and GC9811. In addition, the molecular docking is used to study the potential antiviral activity of 1 by calculating the binding sites for the 1AS0 protein.

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Funding

This work was supported by grants from the Natural Science Foundation of Inner Mongolia University For The Nationalities (NMDYB1723).

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Authors and Affiliations

  1. Inner Mongolia University For The Nationalities, Tongliao, Inner Mongolia Autonomous Region, P. R. China

    G. Lv, D. -L. Zhang & D. Wang

  2. First Affiliated Hospital of Inner Mongolia University For The Nationalities, Tongliao, Inner Mongolia Autonomous Region, P. R. China

    L. Pan & Y. Liu

Authors
  1. G. Lv
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  2. D. -L. Zhang
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  3. D. Wang
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  4. L. Pan
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  5. Y. Liu
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Corresponding author

Correspondence to Y. Liu.

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Text © The Author(s), 2019, published in Zhurnal Strukturnoi Khimii, 2019, Vol. 60, No. 7, pp. 1219-1225.

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Lv, G., Zhang, D.L., Wang, D. et al. Synthesis, Crystal Structure, Anti-Bone Cancer Activity and Molecular Docking Investigations of the Heterocyclic Compound 1-((2S,3S)-2-(Benzyloxy)Pentan-3-yl) -4-(4-(4-(4-Hydroxyphenyl)Piperazin-1-yl) Phenyl)-1H-1,2,4-Triazol-5(4H)-One. J Struct Chem 60, 1173–1179 (2019). https://doi.org/10.1134/S0022476619070205

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  • DOI: https://doi.org/10.1134/S0022476619070205

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