Table · dataset · 2026

Diiron(I) Complexes with Promising Anticancer Properties Obtained by CO-To-Isocyanide Substitution of [Fe2Cp2(CO)4]

Listed in figshare and Loughborough Research Repository — shown once because both records carry DOI 10.1021/acs.inorgchem.6c03964.s001

Description

The diiron(I) complexes [Fe2Cp2(CNR)3{CN(Me) (R)}][CF3SO3] ([2a-b][CF3SO3], R = Xyl, Cy; Xyl = 2,6-C6H3Me2, Cy = cyclohexyl) and [Fe2Cp2(CNR)2{CN(Me) (R)}2][CF3SO3]2 ([3a-c][CF3SO3]2, R = Xyl, Cy, Me) were synthesized in moderate-to-high yields from [Fe2Cp2(CO)4].

They were characterized by IR and NMR spectroscopy and single-crystal X-ray diffraction in five representative cases. The electrochemical behavior of [2a][CF3SO3] and [3a][CF3SO3]2 was investigated by cyclic voltammetry and IR-spectroelectrochemistry, assisted by DFT calculations. UV–vis and 1H NMR studies showed ≥84% of each complex remaining intact after 72 h of incubation at 37 °C in aqueous media.

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Complexes [3a-c][CF3SO3]2 displayed significant aqueous solubility, and [2b][CF3SO3] and [3a-b][CF3SO3]2 exhibited amphiphilic character (−1 < Log Pow < +1). The monocationic species [2a-b][CF3SO3] exerted strong cytotoxicity in A2780, A549, and U87 cancer cell lines, with [2a][CF3SO3] showing IC50 values in the nanomolar range.

Among dicationic complexes, [3a][CF3SO3]2 exhibited significant activity despite limited cellular uptake, whereas [3b-c][CF3SO3]2 were inactive. Compounds [2a][CF3SO3], [2b][CF3SO3] and [3a][CF3SO3]2 impaired mitochondrial bioenergetics without detectable elevation of intracellular ROS levels in both A549 and U87 cells.

No significant interaction with double-stranded DNA was detected by ethidium bromide displacement assays. Conversely, fluorescence titrations with bovine serum albumin indicated the formation of 1:1 adducts for [2a]+ and [3a]2+.

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From keywords: Astronomy & Astrophysics · Biochemistry and cell biology · Biochemistry and cell biology · Cancer · Cancer · Chemistry · Chemistry · Computer Science & AI · Computer Science & AI · Earth & Environmental Science · Earth & Environmental Science · Economics & Finance · Economics & Finance · Engineering · Engineering · Genetics · Genetics · Humanities · Humanities · Life Sciences · Life Sciences · Materials Science · Mathematics & Statistics · Medicine & Health · Medicine & Health · Microbiology · Microbiology · Ocean & Atmospheric Science · Plant biology · Plant biology · Psychology & Behavioral Science · Social Science · Social Science
Inferred from text: Density functional theory 65%

Provenance · 2 source records, 39 field assertions

Source	Key	Last seen	Raw
figshare	oai:figshare.com:article/33986548	10 d ago	JSON v1
Loughborough Research Repository	oai:figshare.com:article/33986548	10 d ago	JSON v1

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publication_date	source · figshare com	connector:figshare_com@1.0.0
title	source · figshare com	connector:figshare_com@1.0.0	/metadata/dc/title

Diiron(I) Complexes with Promising Anticancer Properties Obtained by CO-To-Isocyanide Substitution of [Fe<sub>2</sub>Cp<sub>2</sub>(CO)<sub>4</sub>]

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