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Complex #604 — Ru(2) [Ru4S]

2D Structure

Structure
⬇ MOL V3000

Info

ID604
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu4S
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

TUCAN

C57H64ClF3N8O3Ru/(1-79)(2-104)(3-82)(4-65)(5-105)(6-65)(7-65)(8-66)(9-66)(10-81)(11-83)(12-66)(13-67)(14-67)(15-67)(16-90)(17-107)(18-84)(19-68)(20-68)(21-68)(22-69)(23-69)(24-69)(25-70)(26-70)(27-70)(28-71)(29-71)(30-71)(31-72)(32-72)(33-72)(34-87)(35-73)(36-73)(37-73)(38-74)(39-74)(40-80)(41-91)(42-74)(43-75)(44-103)(45-78)(46-86)(47-75)(48-103)(49-77)(50-75)(51-103)(52-106)(53-85)(54-89)(55-88)(56-76)(57-76)(58-93)(59-108)(60-92)(61-76)(62-122)(63-124)(64-123)(65-99)(66-99)(67-99)(68-100)(69-100)(70-100)(71-101)(72-101)(73-101)(74-102)(75-102)(76-102)(77-78)(77-121)(78-110)(79-94)(79-111)(80-113)(80-117)(81-87)(81-109)(82-94)(82-104)(83-95)(83-112)(84-95)(84-105)(85-106)(85-117)(86-96)(86-110)(87-116)(88-89)(88-109)(89-116)(90-97)(90-114)(91-97)(91-107)(92-98)(92-115)(93-98)(93-108)(94-99)(95-100)(96-120)(96-121)(97-101)(98-102)(103-124)(104-125)(105-126)(106-127)(107-128)(108-129)(109-122)(110-123)(111-112)(111-125)(112-126)(113-118)(113-127)(114-115)(114-128)(115-129)(116-132)(117-132)(118-124)(118-131)(119-122)(119-123)(119-130)(120-133)(120-134)(120-135)(121-136)(125-137)(126-137)(127-137)(128-137)(129-137)(132-137)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Caco-22.5 10.1021/acs.jmedchem.3c01115 2024
MCF-75.3 10.1021/acs.jmedchem.3c01115 2024
HT-296.2 10.1021/acs.jmedchem.3c01115 2024
HepG224 10.1021/acs.jmedchem.3c01115 2024
A54930 10.1021/acs.jmedchem.3c01115 2024
HEK293T33 10.1021/acs.jmedchem.3c01115 2024

🧬 Cell Death Types (1)

Apoptosis high
«According to the apoptosis results, Ru3S decreased the live cell percentage at all concentrations (p < 0.01) and increased the rate of early apoptotic cells at 3.12 and 12.5 μM concentrations (p < 0.0...»

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.

experimental validation surface
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