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Complex 3

CAT: 0013-GTR19341771-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19341771-01Size:10 mg
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Description
Complex 3 is a fluorescent, mitochondria-targeting copper-dithiocarbamate complex with anticancer activity. It exhibits potent in vitro cytotoxicity against pancreatic cancer cell lines and demonstrates in vivo efficacy by reducing tumor volume and inducing apoptosis in xenograft models, linked to mitochondrial dysfunction and lipid peroxidation.
CAS Number
2480150-28-3
Molecular Weight
1005.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Copper;bis([di(piperidin-1-id-2-yl)methylidenehydrazinylidene]-methylsulfanyl-sulfidomethane);tribromide
CAS Number2480150-28-3
PubChem CID176446943
IUPAC Namecopper;bis([di(piperidin-1-id-2-yl)methylidenehydrazinylidene]-methylsulfanyl-sulfidomethane);tribromide
Molecular FormulaC26H42Br3Cu3N8S4-9
Molecular Weight1025.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge-9
Complexity324
SMILES
CSC(=NN=C(C1CCCC[N-]1)C2CCCC[N-]2)[S-].CSC(=NN=C(C1CCCC[N-]1)C2CCCC[N-]2)[S-].[Cu].[Cu].[Cu].[Br-].[Br-].[Br-]
InChI
InChI=1S/2C13H22N4S2.3BrH.3Cu/c2*1-19-13(18)17-16-12(10-6-2-4-8-14-10)11-7-3-5-9-15-11;;;;;;/h2*10-11H,2-9H2,1H3,(H,17,18);3*1H;;;/q2*-2;;;;;;/p-5
InChIKey
MBKNHFAWIRWSTL-UHFFFAOYSA-I
Chemical Structure
2D Structure
2D structure of Copper;bis([di(piperidin-1-id-2-yl)methylidenehydrazinylidene]-methylsulfanyl-sulfidomethane);tribromide
CAS: 2480150-28-3
CID: 176446943
Formula: C26H42Br3Cu3N8S4-9
MW: 1025.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1025.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass1023.78148
Monoisotopic Mass1019.78533
Topological Polar Surface Area106 Ų
Heavy Atom Count44
Formal Charge-9
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count8
Compound Is CanonicalizedYes

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