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Complex #87 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID87
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7, "P": 1}
Abbreviation2
SMILESCC#N.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1

TUCAN

C30H28N7PRu/(1-32)(2-55)(3-35)(4-33)(5-51)(6-49)(7-30)(8-31)(9-36)(10-37)(11-34)(12-38)(13-42)(14-43)(15-29)(16-29)(17-29)(18-52)(19-54)(20-53)(21-46)(22-40)(23-39)(24-44)(25-50)(26-47)(27-45)(28-41)(29-48)(30-49)(30-51)(31-35)(31-37)(32-35)(32-56)(33-37)(33-56)(34-38)(34-57)(36-38)(36-43)(39-50)(39-53)(40-52)(40-54)(41-46)(41-47)(42-43)(42-57)(44-46)(44-58)(45-47)(45-58)(48-59)(49-61)(50-62)(51-64)(52-60)(53-65)(54-63)(55-61)(55-62)(55-63)(56-66)(57-66)(58-66)(60-63)(61-64)(62-65)(64-67)(65-67)(66-67)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11625 10.1021/acs.jmedchem.2c00722 2022
518A226 10.1021/acs.jmedchem.2c00722 2022
RD26 10.1021/acs.jmedchem.2c00722 2022
MCF-732 10.1021/acs.jmedchem.2c00722 2022
HeLa53 10.1021/acs.jmedchem.2c00722 2022
MRC5pd3076 10.1021/acs.jmedchem.2c00722 2022

🧬 Cell Death Types (1)

Apoptosis high
«All tested complexes effectively induced apoptosis in HCT116 cells (Annexin-V-positive/PI-negative cells), whereas the percentage of cells undergoing necrosis was negligible (0.2–0.3%).»

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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