Info
| ID | 5745 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir2 |
| SMILES | Oc1cc(N(CCCl)CCCl)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C45H35Cl2IrN7O/(1-42)(2-40)(3-41)(4-64)(5-54)(6-50)(7-56)(8-38)(9-46)(10-39)(11-43)(12-65)(13-52)(14-47)(15-68)(16-57)(17-68)(18-79)(19-69)(20-79)(21-48)(22-67)(23-53)(24-45)(25-44)(26-80)(27-69)(28-80)(29-49)(30-66)(31-58)(32-51)(33-55)(34-82)(35-88)(36-40)(36-59)(37-56)(37-63)(38-42)(38-70)(39-54)(39-73)(40-52)(41-42)(41-64)(43-44)(43-59)(44-52)(45-51)(45-63)(46-47)(46-60)(47-67)(48-49)(48-62)(49-74)(50-54)(50-65)(51-55)(53-58)(53-66)(55-56)(57-74)(57-78)(58-61)(59-70)(60-71)(60-75)(61-72)(61-76)(62-77)(62-78)(63-73)(64-84)(65-85)(66-86)(67-81)(68-79)(68-83)(69-80)(69-83)(70-84)(71-72)(71-82)(72-87)(73-85)(74-83)(75-76)(75-81)(76-86)(77-82)(77-87)(78-88)(79-89)(80-90)(84-91)(85-91)(86-91)(87-91)(88-91)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | — | 1.4 | 10.1039/d3sc03096b | 2023 |
| 4T1 | — | 1 | 10.1039/d3sc03096b | 2023 |
🧬 Cell Death Types (2)
Apoptosis
high
«photoinduced apoptosis by Ir2 was about 31.0% under hypoxia as a fraction of early and late apoptosis among all dead cells»
Ferroptosis
high
«Ferroptosis induction by Ir2 under light irradiation in 4T1 cells; downregulation of GPX4, LPO accumulation, GSH depletion»
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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