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Complex #2176 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2176
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4, "S": 2, "P": 2}
Abbreviation2
SMILESCc1cc(=O)[nH]c([S-])n1.Cc1cc(=O)[nH]c([S-])n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C46H40N4O2P2RuS2/(1-43)(2-48)(3-44)(4-45)(5-51)(6-46)(7-41)(8-47)(9-52)(10-53)(11-50)(12-55)(13-56)(14-41)(15-61)(16-57)(17-60)(18-62)(19-54)(20-69)(21-58)(22-70)(23-64)(24-66)(25-59)(26-41)(27-42)(28-42)(29-42)(30-63)(31-65)(32-68)(33-67)(34-73)(35-71)(36-72)(37-49)(38-74)(39-87)(40-88)(41-75)(42-76)(43-46)(43-48)(44-47)(44-48)(45-50)(45-53)(46-79)(47-79)(49-75)(49-77)(50-80)(51-53)(51-55)(52-56)(52-61)(54-57)(54-61)(55-80)(56-81)(57-81)(58-60)(58-69)(59-62)(59-69)(60-82)(62-82)(63-64)(63-70)(64-83)(65-66)(65-70)(66-83)(67-68)(67-84)(68-72)(71-72)(71-73)(73-84)(74-76)(74-78)(75-89)(76-90)(77-87)(77-91)(78-88)(78-92)(79-93)(80-93)(81-93)(82-94)(83-94)(84-94)(85-87)(85-89)(85-95)(86-88)(86-90)(86-96)(89-97)(90-97)(93-97)(94-97)

Measurements (14)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HL600.01— 10.1016/j.jinorgbio.2019.11075... 2019
HL600.01— 10.1038/s41598-019-47914-x 2019
K-5620.2— 10.1016/j.jinorgbio.2019.11075... 2019
K-5620.2— 10.1038/s41598-019-47914-x 2019
B16-F100.81— 10.1016/j.jinorgbio.2019.11075... 2019
B16-F100.83— 10.1038/s41598-019-47914-x 2019
HepG20.95— 10.1038/s41598-019-47914-x 2019
HepG20.98— 10.1016/j.jinorgbio.2019.11075... 2019
HCT-1161.4— 10.1038/s41598-019-47914-x 2019
SCC-41.6— 10.1038/s41598-019-47914-x 2019
PBMC2.5— 10.1016/j.jinorgbio.2019.11075... 2019
PBMC2.6— 10.1038/s41598-019-47914-x 2019
HSC-34.4— 10.1038/s41598-019-47914-x 2019
MRC-55.7— 10.1038/s41598-019-47914-x 2019

🧬 Cell Death Types (1)

Apoptosis high
«cotreatment with a pan-caspase inhibitor (Z-VAD(OMe)-FMK) reduced the apoptosis caused by both complexes, indicating a caspase-mediated apoptotic cell death.»

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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