Info
| ID | 5712 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1} |
| Abbreviation | Ir2@DEDTC |
| SMILES | CCN(CC)C(=S)[S-].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C23H22IrN3S4/(1-29)(2-30)(3-23)(4-23)(5-31)(6-35)(7-32)(8-27)(9-41)(10-37)(11-37)(12-23)(13-24)(14-33)(15-34)(16-42)(17-36)(18-28)(19-38)(20-24)(21-24)(22-38)(23-37)(24-38)(25-27)(25-43)(26-28)(26-44)(27-41)(28-42)(29-30)(29-31)(30-39)(31-35)(32-33)(32-40)(33-34)(34-36)(35-47)(36-48)(37-46)(38-46)(39-43)(39-47)(40-44)(40-48)(41-51)(42-52)(43-51)(44-52)(45-46)(45-49)(45-50)(47-53)(48-53)(51-53)(52-53)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 44 | 0.11 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| HeLa | — | 4.1 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| PC-3 | — | 59 | 10.1021/acs.inorgchem.3c02942 | 2023 |
🧬 Cell Death Types (1)
Apoptosis
medium
«after PDT treatment, it elicits cell shrinkage, membrane blebbing, and DNA fragmentation»
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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