83929-40-2

Basic information

• Product Name: 2-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid
• Synonyms: 2-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid;2-[(4-Amino-3-bromo-9,10-dihydro-9,10-dioxoanthracen)-1-ylamino]benzoic acid;Einecs 281-336-7
• CAS NO: 83929-40-2
• Molecular Formula: C₂₁H₁₃BrN₂O₄
• Molecular Weight: 437.24292
• EINECS: 281-336-7
• Mol File: 83929-40-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 650.5°C at 760 mmHg
• Flash Point: 347.2°C
• Appearance: /
• Density: 1.707g/cm³
• Vapor Pressure: 8.22E-18mmHg at 25°C
• Refractive Index: 1.774
• CAS DataBase Reference: 2-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid(83929-40-2)
• EPA Substance Registry System: 2-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid(83929-40-2)

Safety Data

• Hazardous Substances Data: 83929-40-2(Hazardous Substances Data)

Usage

Derivative of anthranilic acid

A chemical compound that is structurally related to anthranilic acid, which is a simple aromatic acid.

Contains a bromine atom

The presence of a bromine atom in the structure gives the compound unique properties and potential applications.

Potential applications in medicinal chemistry

The compound may be used for the development of pharmaceuticals due to its unique structure and potential biological activities.

Possible use in the production of dyes

The compound's structure and properties may make it suitable for use in the creation of dyes for various industries.

Research tool in organic synthesis and chemical reactions

The compound may be used as a research tool to study organic synthesis and chemical reactions, furthering scientific knowledge in these fields.

Need for further research

More research is required to fully understand the properties and potential applications of 2-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid.

InChI:InChI=1/C21H13BrN2O4/c22-13-9-15(24-14-8-4-3-7-12(14)21(27)28)16-17(18(13)23)20(26)11-6-2-1-5-10(11)19(16)25/h1-9,24H,23H2,(H,27,28)

Upstream product

• 81-49-2 1-amino-2, 4-dibromoanthraquinone 
• 118-92-3 anthranilic acid 

Downstream Products

• 77061-50-8 6-amino-7-bromo-13H-naphth[2,3-c]acridine-5,8,14-trione 

Relevant articles and documents

Kallikrein KLK7 inhibitor, preparation method and application

Belonging to the technical field of medicine, the invention in particular relates to a kallikrein KLK7 inhibitor, a preparation method and application. The structural formula is shown as the specification. The compound includes anthraquinone, piperazine, phenyl and other structures, and has certain difference and characteristic compared with the existing organic small molecular compound inhibitors. The compound has an IC5 value on KLK7 up to 28.955microm, has good prospects, and lays the foundation for further development of drugs treating atopic dermatitis.

Design, synthesis, biochemical studies, cellular characterization, and structure-based computational studies of small molecules targeting the urokinase receptor

The urokinase receptor (uPAR) serves as a docking site to the serine protease urokinase-type plasminogen activator (uPA) to promote extracellular matrix (ECM) degradation and tumor invasion and metastasis. Previously, we had reported a small molecule inhibitor of the uPAR·uPA interaction that emerged from structure-based virtual screening. Here, we measure the affinity of a large number of derivatives from commercial sources. Synthesis of additional compounds was carried out to probe the role of various groups on the parent compound. Extensive structure-based computational studies suggested a binding mode for these compounds that led to a structure-activity relationship study. Cellular studies in non-small cell lung cancer (NSCLC) cell lines that include A549, H460 and H1299 showed that compounds blocked invasion, migration and adhesion. The effects on invasion of active compounds were consistent with their inhibition of uPA and MMP proteolytic activity. These compounds showed weak cytotoxicity consistent with the confined role of uPAR to metastasis.