Molecular structure, vibration properties and quantum chemical calculations of 4-(chloromethyl)-7-methoxycoumarin and 4-(chloromethyl)-7-methyl-coumarin

Akman, Feride; Saraç, Kamuran

doi:10.20863/nsd.78025

Cited by 1 publication

(1 citation statement)

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“…These orbitals play a significant role in UV spectroscopy and chemical reactions in addition to their optical and electric characteristics. [36] The energy gap is obtained at 3.570 eV since the highest filled MO energy is À 6.049 eV and the lowest vacant MO has an energy of À 2.478 eV. The results are given in Table 5.…”

Section: Resultsmentioning

confidence: 98%

Determining Stable Structure and in Vitro Antiproliferative Properties of a Novel 3‐(2‐((4‐Trifluoromethyl)phenyl)amino)thiazol‐4‐yl)‐2H‐chromen‐2‐one Molecule

Burak Sarigüney,

Karakaş Sarikaya,

Pehlivanoğlu

2023

Chemistry & Biodiversity

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Since coumarin and thiazole derivatives are known to have antioxidant properties, a novel derivative was synthesized in this article. 3‐(2‐((4‐(trifluoromethyl)phenyl)amino)thiazol‐4‐yl)‐2H‐chromen‐2‐one (ATC) was synthesized as a novel compound with high yield and characterized by Raman, FT‐IR, 13C‐NMR, and 1H‐NMR spectroscopic procedures and DFT calculations. In this study, the potential in vitro antiproliferative properties of the ATC compound were evaluated on colorectal cancer (HT29) and melanoma (SK‐MEL‐30) cell lines. According to the results, the compound was found to be significantly active, approximately 2.6‐fold, against melanoma cells compared to healthy fibroblast (L929) cells. Unlike melanoma cells, the compound did not have any adverse effects on colorectal cancer cells. Due to these findings, the compound can be harnessed as a promising antiproliferative drug candidate for preclinical studies against melanoma.

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Section: Resultsmentioning

confidence: 98%