home← all complexes Ir builderC^N familiesD-MPNN

Complex #4524 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4524
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 1}
Abbreviation4
SMILESCc1ccc(C(C)C)cc1.[I-].[O-]c1ccccc1/C=N/CCc1ccc(O)cc1

TUCAN

C25H28NO2Ru/(1-32)(2-50)(3-51)(4-29)(5-30)(6-35)(7-49)(8-29)(9-34)(10-39)(11-51)(12-44)(13-44)(14-43)(15-33)(16-42)(17-38)(18-40)(19-30)(20-29)(21-30)(22-36)(23-31)(24-37)(25-31)(26-31)(27-41)(28-56)(29-46)(30-49)(31-49)(32-33)(32-43)(33-45)(34-39)(34-52)(35-36)(35-46)(36-47)(37-41)(37-47)(38-40)(38-52)(39-48)(40-48)(41-46)(42-43)(42-53)(44-48)(44-51)(45-50)(45-53)(47-49)(50-54)(51-54)(52-56)(53-55)(54-57)(56-57)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23144— 10.1021/acs.inorgchem.0c00694 2020
HepG257— 10.1021/acs.inorgchem.0c00694 2020
HFF-157— 10.1021/acs.inorgchem.0c00694 2020
MIA PaCa-260— 10.1021/acs.inorgchem.0c00694 2020

🧬 Cell Death Types (1)

Apoptosis high
«Annexin V-PE/7-AAD double staining assay using two different dosages (20 and 35 μM) of 2 showed that there is 31% and 42% apoptosis, respectively, compared to 0.9% in the control. Additionally, the ar...»

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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