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Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H7O2.Cu
Molecular Weight 261.762
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COPPER(II) 4-OXOPENT-2-EN-2-OLATE

SMILES

[Cu++].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O

InChI

InChIKey=KMOVDRADWUSGIH-UHFFFAOYSA-N
InChI=1S/2C5H7O2.Cu/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2

HIDE SMILES / InChI
Molecular Formula C5H8O2
Molecular Weight 100.1158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Cu
Molecular Weight 63.546
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including: http://repositorio.unicamp.br/bitstream/REPOSIP/93476/1/2-s2.0-27844469706.pdf | DOI: 10.1002/047084289X.rc204.pub2

COPPER(II) 4-OXOPENT-2-EN-2-OLATE (Copper(II) acetylacetonate [Cu(acac)2]) is a soluble copper catalyst that has been widely employed in many types of reactions. It is a powerful reagent in organic synthesis. Anticancer properties of Copper(II) acetylacetonate complex was found by treating different cancer cell lines. The TUNEL assay showed a strong positivity in the C6 cells treated with Cu(acac)2 and this indicates that the Cu compounds initiated cell death by DNA fragmentation.

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
DNA
278
Target ID: CHEMBL2311221
Inhibitor
8297
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
An Insoluble Copper(II) Acetylacetonate-Chiral Bipyridine Complex that Catalyzes Asymmetric Silyl Conjugate Addition in Water.
2015 Dec 16
Direct Dry-Grinding Synthesis of Monodisperse Lipophilic CuS Nanoparticles.
2015 Jul 15
Surface chemistry of copper metal and copper oxide atomic layer deposition from copper(ii) acetylacetonate: a combined first-principles and reactive molecular dynamics study.
2015 Oct 28
Approach for 2-(arylthio)imidazoles and imidazo[2,1-b]thiazoles from imidazo[2,1-b][1,3,4]thiadiazoles by ring-opening and -reconstruction.
2016 Mar 14
Patents

Patents

EP2546302 A1
1
EP3095828 A1
1
US20070249862 A1
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Low doses of Copper(II) acetylacetonate alone were necessary to kill approximately 90% of cells of different cancer cell lines (C6, RG2, B16, and U373) (∼62.5 mg/mL).
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:58:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:58:01 GMT 2023
Record UNII
69QQY9TJ8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COPPER(II) 4-OXOPENT-2-EN-2-OLATE
Systematic Name English
COPPER BIS(ACETYLACETONE)
Systematic Name English
BIS(ACETYLACETONE)COPPER
Common Name English
COPPER, BIS(2,4-PENTANEDIONATO-.KAPPA.O2,.KAPPA.O4)-, (SP-4-1)-
Systematic Name English
COPPER BIS(2,4-PENTANEDIONATE)
Common Name English
COPPER DIACETYLACETONATE
Common Name English
COPPER, BIS(2,4-PENTANEDIONATO-O,O')-, (SP-4-1)-
Systematic Name English
BIS(ACETYLACETONATO)COPPER
Common Name English
CUPRIC ACETYLACETONATE [HSDB]
Common Name English
COPPER(II) BIS(2,4-PENTANEDIONATE)
Common Name English
COPPER, BIS(2,4-PENTANEDIONATO-.KAPPA.O,.KAPPA.O')-, (SP-4-1)-
Systematic Name English
COPPER(II) ACETYLACETONATE
Common Name English
COPPER BIS(ACETYLACETONATE)
Common Name English
BIS(2,4-PENTANEDIONATO)COPPER
Common Name English
COPPER(2+) BIS(ACETYLACETONATE)
Common Name English
CUPRIC ACETYLACETONATE
HSDB  
Common Name English
NACEM COPPER
Brand Name English
COPPER, BIS(2,4-PENTANEDIONATO)-
Systematic Name English
CUPRIC BIS(2,4-PENTANEDIONATE)
Common Name English
Code System Code Type Description
CAS
13395-16-9
Created by admin on Sat Dec 16 08:58:01 GMT 2023 , Edited by admin on Sat Dec 16 08:58:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID50904281
Created by admin on Sat Dec 16 08:58:01 GMT 2023 , Edited by admin on Sat Dec 16 08:58:01 GMT 2023
PRIMARY
WIKIPEDIA
Copper(II) acetylacetonate
Created by admin on Sat Dec 16 08:58:01 GMT 2023 , Edited by admin on Sat Dec 16 08:58:01 GMT 2023
PRIMARY
HSDB
256
Created by admin on Sat Dec 16 08:58:01 GMT 2023 , Edited by admin on Sat Dec 16 08:58:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-477-9
Created by admin on Sat Dec 16 08:58:01 GMT 2023 , Edited by admin on Sat Dec 16 08:58:01 GMT 2023
PRIMARY
PUBCHEM
2723615
Created by admin on Sat Dec 16 08:58:01 GMT 2023 , Edited by admin on Sat Dec 16 08:58:01 GMT 2023
PRIMARY
FDA UNII
69QQY9TJ8M
Created by admin on Sat Dec 16 08:58:01 GMT 2023 , Edited by admin on Sat Dec 16 08:58:01 GMT 2023
PRIMARY
NIH
NCATS
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