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Complex #6037 — Ir(3) [IrL2]

2D Structure

Structure
⬇ MOL V3000

Info

ID6037
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 7}
AbbreviationIrL2
SMILESCOC(=O)c1ccnc(-c2[c-]cc(C(C)(C)C)cc2)c1.COC(=O)c1ccnc(-c2[c-]cc(C(C)(C)C)cc2)c1.Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1

TUCAN

C52H47IrN7O4/(1-56)(2-71)(3-48)(4-65)(5-61)(6-62)(7-96)(8-96)(9-48)(10-48)(11-96)(12-60)(13-49)(14-72)(15-83)(16-49)(17-57)(18-59)(19-49)(20-97)(21-50)(22-50)(23-68)(24-97)(25-97)(26-50)(27-51)(28-51)(29-86)(30-84)(31-51)(32-58)(33-63)(34-70)(35-64)(36-52)(37-52)(38-52)(39-67)(40-53)(41-69)(42-66)(43-53)(44-85)(45-53)(46-100)(47-100)(48-81)(49-81)(50-81)(51-82)(52-82)(53-82)(54-63)(54-76)(55-67)(55-77)(56-88)(56-91)(57-64)(57-89)(58-65)(58-86)(59-62)(59-76)(60-78)(60-84)(61-78)(61-90)(62-73)(63-73)(64-91)(65-80)(66-69)(66-75)(67-75)(68-74)(68-95)(69-77)(70-74)(70-85)(71-72)(71-83)(72-79)(73-81)(74-98)(75-82)(76-90)(77-95)(78-99)(79-87)(79-94)(80-92)(80-93)(83-102)(84-104)(85-106)(86-105)(87-93)(87-101)(88-89)(88-101)(89-103)(90-104)(91-100)(92-94)(92-105)(93-103)(94-102)(95-106)(96-109)(97-110)(98-107)(98-109)(99-108)(99-110)(103-111)(104-111)(105-111)(106-111)(109-111)(110-111)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK2930.96 10.1002/smll.202406809 2025
MCF-71.1 10.1002/smll.202406809 2025
HCT-1161.6 10.1002/smll.202406809 2025
MDA-MB-2312.5 10.1002/smll.202406809 2025
A5494.8 10.1002/smll.202406809 2025
PC-34.8 10.1002/smll.202406809 2025

🧬 Cell Death Types (1)

Ferroptosis high
«In cell, investigation confirms that IrL1 nanoaggregates internalization via energy-dependent endocytosis undergo ferroptosis and ROS mediated cell death in MDA-MB-231 cells.»