home← all complexes Ir builderC^N familiesD-MPNN

Complex #2178 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID2178
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4, "S": 2, "P": 2}
Abbreviation4
SMILESCc1cc(=O)[nH]c([S-])n1.Cc1cc(=O)[nH]c([S-])n1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C38H38N4O2P2RuS2/(1-63)(2-69)(3-42)(4-43)(5-47)(6-50)(7-41)(8-63)(9-64)(10-54)(11-48)(12-45)(13-46)(14-51)(15-69)(16-52)(17-53)(18-56)(19-64)(20-70)(21-70)(22-55)(23-49)(24-57)(25-58)(26-60)(27-61)(28-59)(29-39)(30-39)(31-44)(32-39)(33-40)(34-40)(35-40)(36-62)(37-77)(38-78)(39-65)(40-66)(41-43)(41-71)(42-43)(42-47)(44-65)(44-67)(45-47)(45-71)(46-50)(46-72)(48-50)(48-54)(49-55)(49-57)(51-54)(51-72)(52-55)(52-73)(53-57)(53-73)(56-58)(56-74)(58-61)(59-60)(59-74)(60-61)(62-66)(62-68)(63-64)(63-69)(64-70)(65-79)(66-80)(67-77)(67-81)(68-78)(68-82)(69-83)(70-84)(71-83)(72-83)(73-84)(74-84)(75-77)(75-79)(75-85)(76-78)(76-80)(76-86)(79-87)(80-87)(83-87)(84-87)

Measurements (14)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HL600.13— 10.1038/s41598-019-47914-x 2019
HL600.15— 10.1016/j.jinorgbio.2019.11075... 2019
K-5620.32— 10.1016/j.jinorgbio.2019.11075... 2019
K-5620.34— 10.1038/s41598-019-47914-x 2019
HepG20.81— 10.1016/j.jinorgbio.2019.11075... 2019
HepG20.83— 10.1038/s41598-019-47914-x 2019
B16-F101— 10.1038/s41598-019-47914-x 2019
HCT-1161.2— 10.1038/s41598-019-47914-x 2019
SCC-41.2— 10.1038/s41598-019-47914-x 2019
PBMC1.2— 10.1038/s41598-019-47914-x 2019
PBMC1.3— 10.1016/j.jinorgbio.2019.11075... 2019
B16-F101.3— 10.1016/j.jinorgbio.2019.11075... 2019
HSC-32— 10.1038/s41598-019-47914-x 2019
MRC-53.1— 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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