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Complex #6134 — Re(1) [Re4]

2D Structure

Structure
⬇ MOL V3000

Info

ID6134
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 4, "O": 3}
AbbreviationRe4
SMILESCCCCn1c(-c2ccccn2)nc2cc(C(=O)OC)ccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1

TUCAN

C26H24N4O5Re/(1-25)(2-33)(3-40)(4-30)(5-34)(6-36)(7-41)(8-49)(9-31)(10-29)(11-38)(12-26)(13-36)(14-41)(15-32)(16-25)(17-39)(18-27)(19-28)(20-25)(21-35)(22-49)(23-49)(24-35)(25-36)(26-28)(26-38)(27-28)(27-39)(29-37)(29-42)(30-32)(30-37)(31-33)(31-34)(32-43)(33-40)(34-44)(35-36)(35-41)(37-50)(38-54)(39-54)(40-53)(41-51)(42-43)(42-52)(43-51)(44-45)(44-53)(45-51)(45-52)(46-55)(47-56)(48-57)(49-59)(50-58)(50-59)(52-60)(53-60)(54-60)(59-60)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27802 10.1021/acs.jmedchem.3c01869 2024
HeLa11 10.1021/acs.jmedchem.3c01869 2024
BGM17 10.1021/acs.jmedchem.3c01869 2024

🧬 Cell Death Types (1)

Pyroptosis high
«Scanning electron microscopy (SEM) analysis uncovered notable alterations in the morphology of cells subjected to Re9 treatment. These changes were distinctly characterized by a fried egg-like appeara...»

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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