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Complex #3373 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3373
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation2
SMILESCc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(CCN=Cc2ncc[nH]2)cc1.[I-]

TUCAN

C22H28N4O2RuS/(1-29)(2-36)(3-30)(4-35)(5-45)(6-32)(7-33)(8-48)(9-40)(10-46)(11-39)(12-40)(13-47)(14-34)(15-48)(16-30)(17-29)(18-30)(19-31)(20-38)(21-37)(22-31)(23-31)(24-29)(25-44)(26-52)(27-51)(28-52)(29-42)(30-44)(31-44)(32-33)(32-50)(33-41)(34-39)(34-50)(35-36)(35-42)(36-43)(37-38)(37-43)(38-42)(39-41)(40-41)(40-48)(43-44)(45-49)(45-53)(46-47)(46-54)(47-51)(48-53)(49-51)(49-54)(50-57)(52-57)(53-58)(54-58)(55-57)(56-57)(57-58)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MIA PaCa-217— 10.1021/acs.inorgchem.0c03706 2021
MDA-MB-23140— 10.1021/acs.inorgchem.0c03706 2021
CHO—— 10.1021/acs.inorgchem.0c03706 2021
MDCK—— 10.1021/acs.inorgchem.0c03706 2021

🧬 Cell Death Types (1)

Apoptosis high
«Both 1 and 2 induce apoptosis by depolarizing the mitochondrial membrane potential and arrest the cell cycle in the SubG1 phase.»

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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