951885-58-8

Basic information

• Product Name: 2-(4-Bromobenzoyloxy)ethyl 4-bromobenzamide
• Synonyms: 2-(4-Bromobenzoyloxy)ethyl 4-bromobenzamide
• CAS NO: 951885-58-8
• Molecular Formula: C16H13Br2NO3
• Molecular Weight: 427.1
• Product Categories: blocks;Bromides;Carboxes
• Mol File: 951885-58-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 561.5±40.0 °C(Predicted)
• Appearance: /
• Density: 1.636±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 13.34±0.46(Predicted)
• CAS DataBase Reference: 2-(4-Bromobenzoyloxy)ethyl 4-bromobenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-Bromobenzoyloxy)ethyl 4-bromobenzamide(951885-58-8)
• EPA Substance Registry System: 2-(4-Bromobenzoyloxy)ethyl 4-bromobenzamide(951885-58-8)

Safety Data

• Hazardous Substances Data: 951885-58-8(Hazardous Substances Data)

Usage

Structure

Two benzene rings with a bromine atom and a functional group (amide) attached to each

Bromine content

Two bromine atoms in the molecule

Functional group

Benzamide derivative (-CO-NH-)

Usage

Chemical synthesis and research

Potential applications

Pharmaceutical industry

Significance

Interesting target for further study and potential drug development due to bromine content and benzoyloxy group

Upstream product

• 141-43-5 ethanolamine 
• 586-75-4 4-chlorobenzoyl chloride 

Relevant articles and documents

Illuminating a Dark Kinase: Structure-Guided Design, Synthesis, and Evaluation of a Potent Nek1 Inhibitor and Its Effects on the Embryonic Zebrafish Pronephros

NIMA-related kinase 1 (Nek1) has lately garnered attention for its widespread function in ciliogenesis, apoptosis, and the DNA-damage response. Despite its involvement in various diseases and its potential as a cancer drug target, no directed medicinal chemistry efforts toward inhibitors against this dark kinase are published. Here, we report the structure-guided design of a potent small-molecule Nek1 inhibitor, starting from a scaffold identified by kinase cross-screening analysis. Seven lead compounds were identified in silico and evaluated for their inhibitory activity. The top compound, 10f, was further profiled for efficacy, toxicity, and bioavailability in a zebrafish polycystic kidney disease model. Administration of 10f caused the expansion of fluorescence-labeled proximal convoluted tubules, supporting our hypothesis that Nek1-inhibition causes cystic kidneys in zebrafish embryos. Compound 10f displayed insignificant inhibition in 48 of 50 kinases in a selectivity test panel. The findings provide a powerful tool to further elucidate the function and pharmacology of this neglected kinase.