COPPER(II) 4-OXOPENT-2-EN-2-OLATE

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

Structure Search

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
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23413123
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

Targets

Primary Target	Pharmacology	Condition	Potency
DNA 278 Target ID: CHEMBL2311221 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23413123	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cancer 592 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23413123	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed

Patents

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

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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

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