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Complex #6169 — Re(1) [TRIP-6a]

2D Structure

Structure
⬇ MOL V3000

Info

ID6169
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 3, "O": 3}
AbbreviationTRIP-6a
SMILESFC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C23H13F6N3O3Re/(1-16)(2-27)(3-14)(4-18)(5-19)(6-14)(7-28)(8-20)(9-15)(10-21)(11-17)(12-22)(13-14)(14-25)(15-16)(15-25)(16-30)(17-22)(17-30)(18-23)(18-27)(19-24)(19-28)(20-23)(20-29)(21-24)(21-31)(22-25)(23-35)(24-36)(26-37)(27-38)(28-39)(29-31)(29-38)(30-37)(31-39)(32-40)(33-41)(34-42)(35-43)(35-44)(35-45)(36-46)(36-47)(36-48)(37-49)(38-49)(39-49)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa53— 10.1021/acs.inorgchem.0c01442 2020

🧬 Cell Death Types (1)

Apoptosis high
«the parent complex in this series, TRIP-1a, increases the level of misfolded proteins in cells, which triggers ER stress. Subsequently, activation of the UPR and apoptosis ultimately lead to cell deat...»

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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