Info
| ID | 5899 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-pbt-Bpa |
| SMILES | O=C(CCCc1ccccc1)Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1 |
TUCAN
C46H35IrN5OS2/(1-38)(2-41)(3-57)(4-48)(5-71)(6-46)(7-58)(8-47)(9-42)(10-49)(11-59)(12-61)(13-43)(14-65)(15-65)(16-64)(17-64)(18-54)(19-63)(20-53)(21-55)(22-45)(23-62)(24-50)(25-56)(26-39)(27-52)(28-66)(29-70)(30-44)(31-40)(32-51)(33-60)(34-66)(35-82)(36-58)(36-67)(37-56)(37-68)(38-50)(38-60)(39-57)(39-72)(40-42)(40-67)(41-48)(41-78)(42-49)(43-61)(43-69)(44-45)(44-62)(45-73)(46-75)(46-76)(47-56)(47-59)(48-57)(49-58)(50-74)(51-59)(51-68)(52-60)(52-79)(53-61)(53-63)(54-63)(54-69)(55-70)(55-76)(62-71)(64-65)(64-69)(65-66)(66-77)(67-80)(68-81)(70-84)(71-85)(72-78)(72-86)(73-75)(73-85)(74-79)(74-83)(75-84)(76-82)(77-82)(77-87)(78-89)(79-88)(80-83)(80-88)(81-86)(81-89)(83-90)(84-90)(85-90)(86-90)(89-90)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LLC | 3.2 | 1.2 | 10.1039/d2sc06675k | 2023 |
| MDA-MB-231 | 9.6 | 0.53 | 10.1039/d2sc06675k | 2023 |
| SW620 | 10 | 1.5 | 10.1039/d2sc06675k | 2023 |
| A375 | 11 | 0.93 | 10.1039/d2sc06675k | 2023 |
| B16-F10 | 14 | 0.42 | 10.1039/d2sc06675k | 2023 |
| A549 | 16 | 0.39 | 10.1039/d2sc06675k | 2023 |
| 4T1 | 16 | 0.47 | 10.1039/d2sc06675k | 2023 |
| CT-26 | 22 | 1.4 | 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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