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2-[[4-[(2-carboxyphenyl)amino]-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]benzoic acid is a complex organic compound with the molecular formula C20H13NO6. It is characterized by a benzoic acid structure, which includes a benzene ring with a carboxyl group (-COOH) attached to it. The compound features a cyclohexa-1,4-dienyl moiety, which is a six-membered ring with two double bonds, and an amino group attached to a 2-carboxyphenyl group. This structure is further connected to another benzene ring through an amino linkage. The compound is known for its potential applications in various chemical and pharmaceutical industries, particularly in the synthesis of dyes and pharmaceuticals. Its complex structure and functional groups make it a versatile molecule for further chemical modifications and reactions.

4046-39-3

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4046-39-3 Usage

Structure

Contains a cyclohexadienyl group and a benzoic acid group

Type

Amino acid derivative

Functional groups

Two amino groups and a carboxylic acid group

Application

Used in pharmaceutical research and development as a potential drug candidate

Significance

Subject of interest for further study and potential therapeutic applications

Check Digit Verification of cas no

The CAS Registry Mumber 4046-39-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,4 and 6 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 4046-39:
(6*4)+(5*0)+(4*4)+(3*6)+(2*3)+(1*9)=73
73 % 10 = 3
So 4046-39-3 is a valid CAS Registry Number.

4046-39-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[[4-(2-carboxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzoic acid

1.2 Other means of identification

Product number -
Other names -

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:4046-39-3 SDS

4046-39-3Relevant 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.

Enzymatic cyclizations using laccases: Multiple bond formation between dihydroxybenzoic acid derivatives and aromatic amines

Hahn, Veronika,Davids, Timo,Lalk, Michael,Schauer, Frieder,Mikolasch, Annett

supporting information; experimental part, p. 879 - 887 (2010/09/03)

Oxidative C-N bond formation followed by cyclization of dihydroxybenzoic acid derivatives with aromatic and heteroaromatic amines was catalyzed in the presence of oxygen by laccases [E.C. 1.10.3.2] from the white rot fungi Pycnoporus cinnabarinus and Myce

Structural studies of solid and solution phase reaction products between p-benzoquinone and 2-aminobenzoic acid

Bassi,Chander, Keshav,Kumar, Subodh

, p. 328 - 330 (2007/10/03)

Solid and solution phase reaction products between p-benzoquinone and 2-aminobenzoic acids have been characterized using XRD, EPR, NMR and electronic spectra. The solid state reaction product is assigned as 1:1 addition complex while the solution phase re

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