Info
| ID | 6288 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 3} |
| Abbreviation | [Re(CO)3(N(SO2)(2-nap)dien)] |
| SMILES | NCCNCC[N-]S(=O)(=O)c1ccc2ccccc2c1.[C-]#[O+].[C-]#[O+].[C-]#[O+] |
TUCAN
C17H18N3O5ReS/(1-20)(2-29)(3-29)(4-22)(5-28)(6-28)(7-19)(8-21)(9-31)(10-31)(11-30)(12-30)(13-25)(14-23)(15-24)(16-36)(17-36)(18-37)(19-26)(19-35)(20-21)(20-22)(21-25)(22-26)(23-24)(23-27)(24-35)(25-27)(26-27)(28-29)(28-38)(29-37)(30-31)(30-37)(31-36)(32-39)(33-40)(34-41)(35-44)(38-44)(38-45)(42-44)(43-44)(44-45)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MRC-5 | 34 | — | 10.1016/j.poly.2020.114652 | 2020 |
| MRC-5 | 68 | — | 10.1016/j.poly.2020.114652 | 2020 |
| NCI-H292 | 83 | — | 10.1016/j.poly.2020.114652 | 2020 |
| NCI-H292 | 1.7e+02 | — | 10.1016/j.poly.2020.114652 | 2020 |
| MRC-5 | 3.2e+02 | — | 10.1016/j.poly.2020.114652 | 2020 |
| NCI-H292 | 6.1e+02 | — | 10.1016/j.poly.2020.114652 | 2020 |
🧬 Cell Death Types (1)
Apoptosis
high
«NCI-H292 cells treated with C1 indicated clear morphological changes, such as cell shrinkage, reduction in cell volume and irregular cell shapes, which are indicative of 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.
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