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2,5-bis[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione, also known as 2,5-bis(2-hydroxyethylamino)-1,4-benzoquinone, is a chemical compound with the molecular formula C10H14N2O4. It is a derivative of 1,4-benzoquinone, featuring two hydroxyethylamine groups attached to the 2 and 5 positions of the benzene ring. 2,5-bis[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione is known for its potential applications in various fields, such as pharmaceuticals and chemical research, due to its unique structure and reactivity. It is synthesized through a series of chemical reactions, often involving the condensation of 1,4-benzoquinone with ethylenediamine in the presence of a catalyst. The compound is typically obtained as a pale yellow solid and is soluble in polar solvents like water and alcohol. Its chemical properties, such as its ability to form complexes and its redox behavior, make it an interesting subject for further study and potential applications in various industries.

5557-53-9

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5557-53-9 Usage

Common Abbreviations

HED, HEDTA

Type of Compound

Chelating Agent

Function

Binds to metal ions, especially transition metals like iron, copper, and zinc

Applications

Water Treatment: Used to remove metal ions from water sources
Agriculture: Utilized as a chelating agent in fertilizers to improve nutrient uptake in plants
Personal Care Products: Employed in the production of cosmetics and personal care items
Detergents: Acts as a stabilizer to prevent degradation in detergent formulations
Food and Beverage Industry: Used as a sequestrant to prevent discoloration and degradation caused by metal ions in food and drinks

Key Properties

Chelating: Ability to form stable complexes with metal ions
Versatile: Suitable for various industrial and commercial applications
Effective: Provides efficient metal ion binding and stabilization

Importance

Plays a crucial role in different industries by serving as a versatile and effective chelating agent.

Check Digit Verification of cas no

The CAS Registry Mumber 5557-53-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,5 and 7 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5557-53:
(6*5)+(5*5)+(4*5)+(3*7)+(2*5)+(1*3)=109
109 % 10 = 9
So 5557-53-9 is a valid CAS Registry Number.

5557-53-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,5-bis(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione

1.2 Other means of identification

Product number -
Other names 2,5-bis[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5557-53-9 SDS

5557-53-9Relevant academic research and scientific papers

Development of quinone analogues as dynamin GTPase inhibitors

Macgregor, Kylie A.,Abdel-Hamid, Mohammed K.,Odell, Luke R.,Chau, Ngoc,Whiting, Ainslie,Robinson, Phillip J.,McCluskey, Adam

, p. 191 - 206 (2014/08/18)

Virtual screening of the ChemDiversity and ChemBridge compound databases against dynamin I (dynI) GTPase activity identified 2,5-bis-(benzylamino)-1,4- benzoquinone 1 as a 273 ± 106 μM inhibitor. In silico lead optimization and focused library-led synthesis resulted in the development of four discrete benzoquinone/naphthoquinone based compound libraries comprising 54 compounds in total. Sixteen analogues were more potent than lead 1, with 2,5-bis-(4-hydroxyanilino)-1,4-benzoquinone (45) and 2,5-bis(4-carboxyanilino)- 1,4-benzoquinone (49) the most active with IC50 values of 11.1 ± 3.6 and 10.6 ± 1.6 μM respectively. Molecular modelling suggested a number of hydrogen bonding and hydrophobic interactions were involved in stabilization of 49 within the dynI GTP binding site. Six of the most active inhibitors were evaluated for potential inhibition of clathrin-mediated endocytosis (CME). Quinone 45 was the most effective CME inhibitor with an IC50(CME) of 36 ± 16 μM.

Structure-activity studies on therapeutic potential of thymoquinone analogs in pancreatic cancer

Banerjee, Sanjeev,Azmi, Asfar S.,Padhye, Subhash,Singh, Marjit W.,Baruah, Jubaraj B.,Philip, Philip A.,Sarkar, Fazlul H.,Mohammad, Ramzi M.

scheme or table, p. 1146 - 1158 (2011/03/21)

Purpose: Pancreatic cancer (PC) is one of the deadliest of all tumors. Previously, we were the first to show that Thymoquinone (TQ) derived from black seed (Nigella sativa) oil has anti-tumor activity against PC. However, the concentration of TQ required

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