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Complex #5899 — Ir(3) [Ir-pbt-Bpa]

2D Structure

Structure
⬇ MOL V3000

Info

ID5899
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 5}
AbbreviationIr-pbt-Bpa
SMILESO=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 lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
LLC3.21.2 10.1039/d2sc06675k 2023
MDA-MB-2319.60.53 10.1039/d2sc06675k 2023
SW620101.5 10.1039/d2sc06675k 2023
A375110.93 10.1039/d2sc06675k 2023
B16-F10140.42 10.1039/d2sc06675k 2023
A549160.39 10.1039/d2sc06675k 2023
4T1160.47 10.1039/d2sc06675k 2023
CT-26221.4 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.»