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Chemical Structure| 954112-61-9 Chemical Structure| 954112-61-9
Chemical Structure| 954112-61-9

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CAS No.: 954112-61-9

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Szmigiel-Bakalarz, Ksenia ; K?opotowska, Dagmara ; Wietrzyk, Joanna ; Malik, Magdalena ; Morzyk-Ociepa, Barbara ;

Abstract: This study investigates the structural, vibrational, and biological properties of novel palladium(II) and platinum(II) complexes with 5-chloro-7-azaindole-3-carbaldehyde (5ClL) and 4- chloro-7-azaindole-3-carbaldehyde (4ClL) ligands. Infrared and Raman spectroscopy, combined with DFT (ωB97X-D) calculations, provided valuable information about metal-ligand interactions, the cis or trans conformation of the aldehyde group in the ligands, and the presence of trans isomers in the metal complexes obtained in the solid state. In vitro tests were used to evaluate the antiproliferative activity of the novel complexes against several cancer cell lines, including ovarian cancer (A2780), cisplatin-resistant ovarian cancer (A2780cis), colon cancer (HT-29), and triple-negative breast cancer (MDA-MB-231), as well as normal mouse fibroblasts (BALB/3T3). The platinum complex, trans-[PtCl2(5ClL)2], exhibited superior activity against A2780cis (IC50 = 4.96 ± 0.49 μM) and MDA-MB-231 (IC50 = 4.83 ± 0.38 μM) compared to cisplatin, while the palladium complexes (trans-[PdCl2 (4ClL)2] and trans-[PdCl2(5ClL)2]) demonstrated enhanced selectivity with reduced toxicity to normal fibroblasts (IC50 = 11.29 ± 6.65 μM and 14.98 ± 5.59 μM, respectively).

Keywords: 4-chloro-7-azaindole-3-carbaldehyde ; 5-chloro-7-azaindole-3-carbaldehyde ; platinum(II) complexes ; palladium(II) complexes ; IR spectroscopy ; Raman spectroscopy ; DFT ; antiproliferative activity

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Product Details of [ 954112-61-9 ]

CAS No. :954112-61-9
Formula : C8H5ClN2O
M.W : 180.59
SMILES Code : O=CC1=CNC2=NC=C(Cl)C=C21
MDL No. :MFCD12962789
InChI Key :NKTDCYOZPANZSE-UHFFFAOYSA-N
Pubchem ID :46856477

Safety of [ 954112-61-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H317-H319-H335
Precautionary Statements:P261-P280-P305+P351+P338
 

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[ 954112-61-9 ]

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