Info
| ID | 975 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6, "S": 1} |
| Abbreviation | Ru1 |
| SMILES | C[C@@H]1CC[C@]2(C(=O)N3CCN(C(=S)[S-])CC3)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C55H71N6O2RuS2/(1-100)(2-103)(3-79)(4-80)(5-112)(6-113)(7-114)(8-75)(9-98)(10-77)(11-104)(12-98)(13-75)(14-81)(15-83)(16-77)(17-75)(18-85)(19-124)(20-100)(21-116)(22-97)(23-92)(24-91)(25-76)(26-74)(27-106)(28-99)(29-99)(30-76)(31-76)(32-117)(33-97)(34-72)(35-72)(36-117)(37-72)(38-116)(39-118)(40-74)(41-74)(42-118)(43-92)(44-102)(45-119)(46-119)(47-93)(48-77)(49-73)(50-73)(51-78)(52-94)(53-86)(54-82)(55-84)(56-115)(57-95)(58-95)(59-94)(60-78)(61-73)(62-93)(63-78)(64-105)(65-90)(66-87)(67-88)(68-89)(69-96)(70-96)(71-134)(72-102)(73-107)(74-110)(75-103)(76-108)(77-111)(78-111)(79-80)(79-120)(80-81)(81-112)(82-83)(82-121)(83-85)(84-88)(84-122)(85-113)(86-88)(86-114)(87-89)(87-115)(89-90)(90-123)(91-99)(91-101)(92-97)(92-102)(93-94)(93-107)(94-105)(95-96)(95-108)(96-109)(97-109)(98-100)(98-124)(99-106)(100-110)(101-104)(101-108)(102-103)(103-104)(104-109)(105-110)(105-111)(106-107)(106-110)(107-108)(109-125)(111-124)(112-129)(113-130)(114-131)(115-132)(116-117)(116-127)(117-128)(118-119)(118-128)(119-127)(120-121)(120-129)(121-130)(122-123)(122-131)(123-132)(124-134)(125-128)(125-133)(126-127)(126-135)(126-136)(129-137)(130-137)(131-137)(132-137)(134-137)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MGC-803 | 0.96 | — | 10.1093/mtomcs/mfac072 | 2022 |
| MCF-7 | 1.2 | — | 10.1093/mtomcs/mfac072 | 2022 |
| CNE-2 | 1.3 | — | 10.1093/mtomcs/mfac072 | 2022 |
| T24 | 1.8 | — | 10.1093/mtomcs/mfac072 | 2022 |
| MDA-MB-231 | 2.4 | — | 10.1093/mtomcs/mfac072 | 2022 |
| HepG2 | 2.9 | — | 10.1093/mtomcs/mfac072 | 2022 |
🧬 Cell Death Types (1)
Necroptosis
high
«Mitochondrial swelling resulted in vacuolization, which induced vacuolation-associated cell death and necroptosis with the formation of necrosomes (RIP1-RIP3) and the uptake of propidium iodide.»
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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