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Complex #3092 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3092
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.O=C(CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1)Nc1cc2cccnc2c2ncccc12.[Cl-]

TUCAN

C45H41N5O4Ru/(1-82)(2-73)(3-43)(4-43)(5-53)(6-75)(7-58)(8-50)(9-74)(10-46)(11-49)(12-59)(13-45)(14-48)(15-61)(16-60)(17-64)(18-66)(19-57)(20-65)(21-55)(22-76)(23-66)(24-52)(25-62)(26-56)(27-76)(28-47)(29-82)(30-65)(31-43)(32-42)(33-42)(34-44)(35-51)(36-42)(37-44)(38-44)(39-63)(40-54)(41-88)(42-69)(43-73)(44-73)(45-49)(45-72)(46-55)(46-67)(47-50)(47-68)(48-49)(48-56)(50-58)(51-53)(51-69)(52-64)(52-83)(53-70)(54-63)(54-70)(55-74)(56-57)(57-72)(58-59)(59-79)(60-71)(60-78)(61-62)(61-75)(62-71)(63-69)(64-84)(65-66)(65-86)(66-85)(67-77)(67-78)(68-79)(68-81)(70-73)(71-80)(72-76)(74-87)(75-90)(76-89)(77-80)(77-87)(78-88)(79-89)(80-90)(81-84)(81-91)(82-83)(82-95)(83-94)(84-94)(85-88)(85-93)(86-92)(86-95)(89-91)(90-96)(91-96)(94-96)(95-96)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11666— 10.1021/acs.inorgchem.8b01070 2018
A54976— 10.1021/acs.inorgchem.8b01070 2018
HUVEC1.3e+02— 10.1021/acs.inorgchem.8b01070 2018

🧬 Cell Death Types (1)

Apoptosis high
«Under normoxia, the apoptotic rates of HCT-116 cells treated with complexes 1−3 increased as compared with that of the untreated cells (Figure 6). Moreover, under a hypoxic condition, cells treated wi...»

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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