Info
| ID | 4971 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir2 |
| SMILES | O=C(CCCc1ccccc1)Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C42H35IrN5O/(1-69)(2-46)(3-47)(4-70)(5-68)(6-45)(7-48)(8-39)(9-56)(10-38)(11-49)(12-53)(13-40)(14-54)(15-62)(16-62)(17-64)(18-64)(19-63)(20-63)(21-43)(22-59)(23-50)(24-42)(25-44)(26-51)(27-57)(28-41)(29-61)(30-71)(31-60)(32-55)(33-58)(34-52)(35-78)(36-38)(36-65)(37-53)(37-67)(38-46)(39-40)(39-72)(40-47)(41-54)(41-73)(42-71)(42-74)(43-59)(43-66)(44-60)(44-75)(45-74)(45-76)(46-48)(47-69)(48-49)(49-65)(50-59)(50-61)(51-60)(51-68)(52-61)(52-66)(53-55)(54-56)(55-57)(56-70)(57-58)(58-67)(62-63)(62-66)(63-64)(64-77)(65-72)(67-73)(68-80)(69-79)(70-81)(71-82)(72-79)(73-81)(74-78)(75-76)(75-80)(76-82)(77-78)(77-83)(79-84)(80-84)(81-84)(82-84)
Measurements (15)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HLF | 2.5 | — | 10.1002/ange.202013987 | 2021 |
| BEAS-2B | 2.8 | — | 10.1002/ange.202013987 | 2021 |
| Lewis lung carcinoma | 3 | — | 10.1002/ange.202013987 | 2021 |
| A549 | 3.6 | — | 10.1002/ange.202013987 | 2021 |
| A549cisR | 3.9 | — | 10.1002/ange.202013987 | 2021 |
| MDA-MB-231 | 4 | — | 10.1002/ange.202013987 | 2021 |
| CT-26 | 5.7 | — | 10.1002/ange.202013987 | 2021 |
| MDA-MB-231 | 6.7 | 1 | 10.1039/d2sc06675k | 2023 |
| A375 | 6.8 | 5 | 10.1039/d2sc06675k | 2023 |
| SW620 | 8.2 | 2.2 | 10.1039/d2sc06675k | 2023 |
| 4T1 | 8.3 | 4 | 10.1039/d2sc06675k | 2023 |
| A549 | 9 | 1.5 | 10.1039/d2sc06675k | 2023 |
| B16-F10 | 9.7 | 2.9 | 10.1039/d2sc06675k | 2023 |
| LLC | 15 | 1.4 | 10.1039/d2sc06675k | 2023 |
| CT-26 | 15 | 17 | 10.1039/d2sc06675k | 2023 |
🧬 Cell Death Types (2)
Ferroptosis
high
«The combination of these findings indicated that the treatment with Ir-pbt-Bpa and exposure to light irradiation likely causes cell death by ferroptosis.»
Immunogenic Cell Death
high
«The combination of these findings indicates that Ir-pbt-Bpa can trigger ICD upon light irradiation.»
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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