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Complex #6111 — Ir(3) [Ir-NPX-2]

2D Structure

Structure
⬇ MOL V3000

Info

ID6111
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 4}
AbbreviationIr-NPX-2
SMILESCOc1ccc2cc(C(C)C(=O)OCc3ccnc(-c4cc(COC(=O)C(C)c5ccc6cc(OC)ccc6c5)ccn4)c3)ccc2c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1

TUCAN

C58H48IrN4O6S2/(1-53)(2-103)(3-68)(4-70)(5-49)(6-58)(7-88)(8-63)(9-95)(10-55)(11-54)(12-76)(13-85)(14-49)(15-62)(16-104)(17-56)(18-87)(19-95)(20-64)(21-97)(22-86)(23-57)(24-95)(25-73)(26-71)(27-65)(28-49)(29-60)(30-59)(31-97)(32-69)(33-98)(34-50)(35-90)(36-96)(37-61)(38-67)(39-89)(40-50)(41-75)(42-98)(43-96)(44-96)(45-72)(46-50)(47-66)(48-74)(49-85)(50-86)(51-53)(51-105)(52-71)(52-106)(53-103)(54-55)(54-91)(55-68)(56-73)(56-92)(57-80)(57-88)(58-78)(58-82)(59-81)(59-90)(60-61)(60-78)(61-99)(62-63)(62-77)(63-82)(64-80)(64-93)(65-69)(65-84)(66-67)(66-79)(67-100)(68-87)(69-83)(70-77)(70-99)(71-104)(72-73)(72-89)(74-81)(74-94)(75-79)(75-83)(76-84)(76-100)(77-78)(79-84)(80-97)(81-98)(82-85)(83-86)(85-101)(86-102)(87-107)(88-109)(89-108)(90-110)(91-105)(91-107)(92-106)(92-108)(93-94)(93-109)(94-110)(95-113)(96-115)(97-114)(98-116)(99-113)(100-115)(101-111)(101-114)(102-112)(102-116)(103-117)(104-118)(105-117)(106-118)(107-119)(108-119)(109-119)(110-119)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR1.6 10.1039/d4dt00575a 2024
HeLa2.6 10.1039/d4dt00575a 2024
HepG23.2 10.1039/d4dt00575a 2024
A5493.4 10.1039/d4dt00575a 2024
LO24.5 10.1039/d4dt00575a 2024

🧬 Cell Death Types (2)

Apoptosis high
«induced apoptosis in A549R cells by damaging the structure and function of mitochondria»
Immunogenic Cell Death high
«release of immunogenic cell death (ICD) related signaling molecules such as damage-associated molecular patterns (DAMPs) (cell surface calreticulin (CRT), high mobility group box 1 (HMGB1), and adenos...»