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Complex #603 — Ru(2) [Ru3S]

2D Structure

Structure
⬇ MOL V3000

Info

ID603
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu3S
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1

TUCAN

C45H40ClF3N8O3Ru/(1-47)(2-45)(3-41)(4-55)(5-46)(6-61)(7-62)(8-41)(9-41)(10-48)(11-42)(12-42)(13-49)(14-42)(15-63)(16-43)(17-67)(18-67)(19-54)(20-53)(21-67)(22-65)(23-60)(24-43)(25-50)(26-68)(27-43)(28-52)(29-56)(30-64)(31-51)(32-44)(33-59)(34-58)(35-57)(36-44)(37-44)(38-88)(39-87)(40-86)(41-71)(42-72)(43-75)(44-78)(45-47)(45-69)(46-55)(46-70)(47-48)(48-71)(49-55)(49-72)(50-68)(50-81)(51-52)(51-73)(52-85)(53-54)(53-77)(54-80)(56-62)(56-75)(57-64)(57-78)(58-59)(58-77)(59-80)(60-66)(60-73)(61-62)(61-74)(63-64)(63-76)(65-79)(65-81)(66-84)(66-85)(67-88)(68-93)(69-70)(69-89)(70-90)(71-89)(72-90)(73-86)(74-76)(74-91)(75-91)(76-92)(77-87)(78-92)(79-82)(79-93)(80-96)(81-96)(82-88)(82-95)(83-86)(83-87)(83-94)(84-97)(84-98)(84-99)(85-100)(89-101)(90-101)(91-101)(92-101)(93-101)(96-101)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HT-296.9 10.1021/acs.jmedchem.3c01115 2024
HepG27.1 10.1021/acs.jmedchem.3c01115 2024
Caco-29.6 10.1021/acs.jmedchem.3c01115 2024
MCF-712 10.1021/acs.jmedchem.3c01115 2024
A54925 10.1021/acs.jmedchem.3c01115 2024
HEK293T84 10.1021/acs.jmedchem.3c01115 2024

🧬 Cell Death Types (1)

Apoptosis high
«According to the apoptosis results, Ru3S decreased the live cell percentage at all concentrations (p < 0.01) and increased the rate of early apoptotic cells at 3.12 and 12.5 μM concentrations (p < 0.0...»

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
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