Homo- and hetero-dinuclear CpFe and CpRu complexes of a 1,2,4-triazole-bis-Cp ligand with anticancer potential

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2025-06-21 DOI:10.1016/j.poly.2025.117648

Mario Mallea , Ignacio Almendras , Miguel Gallardo , Pascal Roussel , Natacha Henry , Axel Steinbrueck , Nils Metzler-Nolte , Rodrigo Arancibia

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Abstract

A homo- and a hetero-dinuclear organometallic complex, [(Cp)Fe(Cp)-CH(Tz)-(Cp)M(Cp)] (M = Fe (3a), Ru (3b); Cp- = cyclopentadienyl, Tz = 1,2,4-triazole), were prepared from carbinol precursors [(Cp)Fe(Cp)-CH(OH)-(Cp)M(Cp)] (M = Fe (2a), Ru (2b), and 1,2,4-triazole. Complexes 3a-b were characterized by ¹H and ¹³C NMR spectroscopy, mass spectrometry (MS), and elemental analysis. The X-ray crystal structure of 3a reveals two ferrocenyl units, whereas 3b exhibits two Fe/Ru mixed-occupancy metal sites in a 1:1 ratio, along with disorder in the pendant Cp units in both structures. These findings are consistent with the MS data, which clearly show the [M]⁺ ion for 3a (Fe/Fe) and 3b (Fe/Ru), but no Fe/Fe or Ru/Ru species for 3b. The antiproliferative activities of 3a and 3b were evaluated against HeLa, MCF-7, and HT-29 cancer cell lines, with IC₅₀ values ranging from 14 to 95 μM. For comparison, cisplatin exhibited IC₅₀ values between 0.33 and 22 μM under the same conditions.

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具有抗癌潜力的1,2,4-三唑-双cp配体的同源和异核CpFe和CpRu配合物

[(Cp)Fe(Cp)- ch (Tz)-(Cp)M(Cp)] (M = Fe(3a), Ru (3b)；以甲醇为前体[(Cp)Fe(Cp)- ch (OH)-(Cp)M(Cp)] （M = Fe（2a), Ru （2b）和1,2,4-三唑）制备了环戊二烯基，Tz = 1,2,4-三唑）。配合物3a-b通过1H和13C NMR、质谱（MS）和元素分析进行了表征。3a的x射线晶体结构显示两个二茂铁基单元，而3b则显示两个Fe/Ru以1:1的比例混合占据的金属位，以及两个结构中悬垂的Cp单元的无序性。这些发现与质谱数据一致，质谱数据清楚地表明3a （Fe/Fe）和3b （Fe/Ru）中存在[M]+离子，但3b中没有Fe/Fe或Ru/Ru种。3a和3b对HeLa， MCF-7和HT-29癌细胞系的抗增殖活性进行了评估，IC₅0值范围为14至95 μM。相比之下，在相同条件下，顺铂的IC₅0值在0.33和22 μM之间。

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来源期刊

Polyhedron 化学-晶体学

CiteScore

4.90

自引率

7.70%

发文量

515

审稿时长

2 months

期刊介绍： Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.