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Complex #6132 — Re(1) [Re2]

2D Structure

Structure
⬇ MOL V3000

Info

ID6132
MetalRe
Oxidation state1
Charge0
Donor atoms{"N": 3, "O": 3}
AbbreviationRe2
SMILESCCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)OC)ccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]

TUCAN

C25H21N3O5Re/(1-33)(2-32)(3-36)(4-24)(5-26)(6-28)(7-22)(8-32)(9-22)(10-31)(11-23)(12-27)(13-33)(14-36)(15-45)(16-45)(17-22)(18-30)(19-45)(20-29)(21-25)(22-33)(23-24)(23-37)(24-35)(25-26)(25-38)(26-28)(27-28)(27-34)(29-35)(29-39)(30-31)(30-40)(31-34)(32-33)(32-36)(34-38)(35-46)(36-47)(37-39)(37-47)(38-48)(39-49)(40-41)(40-48)(41-47)(41-49)(42-51)(43-52)(44-53)(45-54)(46-50)(46-54)(48-55)(49-55)(54-55)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa5 10.1021/acs.jmedchem.3c01869 2024
A27805.1 10.1021/acs.jmedchem.3c01869 2024
BGM 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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