Info
| ID | 6262 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 2 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | Re2 |
| SMILES | NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1 |
TUCAN
C28H21N8O3Re/(1-31)(2-22)(3-24)(4-26)(5-23)(6-25)(7-28)(8-30)(9-27)(10-32)(11-29)(12-36)(13-37)(14-39)(15-38)(16-53)(17-54)(18-50)(19-50)(20-51)(21-51)(22-23)(22-36)(23-29)(24-25)(24-35)(25-44)(26-28)(26-39)(27-32)(27-44)(28-33)(29-37)(30-31)(30-38)(31-34)(32-35)(33-40)(33-41)(34-42)(34-43)(35-45)(36-55)(37-55)(38-56)(39-52)(40-43)(40-53)(41-42)(41-52)(42-56)(43-57)(44-54)(45-53)(45-57)(46-50)(46-51)(46-54)(47-58)(48-59)(49-60)(55-61)(56-61)(57-61)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 38 | 7.3 | 10.1093/mtomcs/mfac008 | 2022 |
| MCF-7 | 46 | 9.9 | 10.1093/mtomcs/mfac008 | 2022 |
| A549 | 50 | 9.5 | 10.1093/mtomcs/mfac008 | 2022 |
| LO2 | 54 | 9 | 10.1093/mtomcs/mfac008 | 2022 |
| HeLa | 81 | 12 | 10.1093/mtomcs/mfac008 | 2022 |
🧬 Cell Death Types (1)
Apoptosis
high
«Title: 'trigger HeLa cell apoptosis through death receptor-mediated, mitochondria-mediated, and cell cycle arrest pathways.' Abstract: 'the mechanism by which Re1 induces apoptosis' and 'inducing the ...»
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.
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