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electronic structure calculations

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製品番号 製品名 Target 研究分野 構造式
  • HY-N12964
    4-Hydroxycanthin-6-one

    		Others Others
    4-Hydroxycanthin-6-one is a novel quinoline alkaloid isolated from the stem bark of the tree Ailanthus altissima. Five other known compounds were also found in the study. The structures of the new compounds were determined by interpretation of physical and spectroscopic data, and their absolute configurations were determined by electronic circular dichroism spectroscopy and quantum chemical calculations. These compounds showed significant inhibitory activity against lipopolysaccharide (LPS)-induced nitric oxide (NO) production in RAW 264.7 cells, showing potential anti-inflammatory properties .
    4-Hydroxycanthin-6-one
  • HY-W543267
    1,3,5-Tri(1H-1,2,3-triazol-5-yl)benzene

    		MOFs Drug Intermediate Others
    1,3,5-Tri (1H-1,2,3-triazol-5-yl) benzene is a tritopic triazole-bridged ligand (H3BTTri) that forms a sodalite-type metal-organic framework with coordinatively unsaturated cobalt (II) centers. This framework exhibits selective O2-binding capacity over N2. 1,3,5-Tri (1H-1,2,3-triazol-5-yl) benzene can be used for the synthesis of metal-organic framework (MOF)-related materials .
    1,3,5-Tri(1H-1,2,3-triazol-5-yl)benzene

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