Info
| ID | 601 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru1S |
| SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C41H32ClF3N8O3Ru/(1-33)(2-56)(3-34)(4-58)(5-45)(6-36)(7-39)(8-35)(9-48)(10-59)(11-60)(12-40)(13-37)(14-57)(15-42)(16-44)(17-52)(18-38)(19-46)(20-55)(21-47)(22-49)(23-55)(24-51)(25-41)(26-43)(27-50)(28-55)(29-53)(30-74)(31-76)(32-75)(33-34)(33-36)(34-61)(35-39)(35-40)(36-56)(37-41)(37-42)(38-43)(38-52)(39-62)(40-58)(41-63)(42-59)(43-64)(44-57)(44-69)(45-48)(45-65)(46-47)(46-68)(47-66)(48-73)(49-51)(49-68)(50-54)(50-65)(51-66)(52-60)(53-67)(53-69)(54-72)(54-73)(55-75)(56-78)(57-77)(58-79)(59-80)(60-81)(61-62)(61-78)(62-79)(63-64)(63-80)(64-81)(65-74)(66-76)(67-70)(67-77)(68-84)(69-84)(70-75)(70-82)(71-74)(71-76)(71-83)(72-85)(72-86)(72-87)(73-88)(77-89)(78-89)(79-89)(80-89)(81-89)(84-89)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 17 | — | 10.1021/acs.jmedchem.3c01115 | 2024 |
| Caco-2 | 19 | — | 10.1021/acs.jmedchem.3c01115 | 2024 |
| HepG2 | 27 | — | 10.1021/acs.jmedchem.3c01115 | 2024 |
| HT-29 | 64 | — | 10.1021/acs.jmedchem.3c01115 | 2024 |
| A549 | 1.3e+02 | — | 10.1021/acs.jmedchem.3c01115 | 2024 |
| HEK293T | 1.7e+02 | — | 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.
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