57728-67-3

Basic information

• Product Name: 4-BROMO-N-(2-HYDROXYETHYL)BENZENECARBOXAMIDE
• Synonyms: 4-BROMO-N-(2-HYDROXYETHYL)BENZENECARBOXAMIDE
• CAS NO: 57728-67-3
• Molecular Formula: C₉H₁₀BrNO₂
• Molecular Weight: 244.09
• Mol File: 57728-67-3.mol
• Article Data: 12

Chemical Properties

• Melting Point: 146-147°
• Boiling Point: 417.1 °C at 760 mmHg
• Flash Point: 206 °C
• Appearance: /
• Density: 1.525 g/cm³
• Vapor Pressure: 1.05E-07mmHg at 25°C
• Refractive Index: 1.586
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-BROMO-N-(2-HYDROXYETHYL)BENZENECARBOXAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-N-(2-HYDROXYETHYL)BENZENECARBOXAMIDE(57728-67-3)
• EPA Substance Registry System: 4-BROMO-N-(2-HYDROXYETHYL)BENZENECARBOXAMIDE(57728-67-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 57728-67-3(Hazardous Substances Data)

Usage

General Description

4-Bromo-N-(2-hydroxyethyl)benzenecarboxamide is a chemical compound with the molecular formula C9H10BrNO2. It is an amide derivative of bromobenzene with a hydroxyethyl group attached to the nitrogen atom. 4-BROMO-N-(2-HYDROXYETHYL)BENZENECARBOXAMIDE is often used as a building block in organic synthesis and pharmaceutical research due to its versatile reactivity and potential as a scaffold for drug design. It may also have potential applications in the development of new materials and chemical processes. Additionally, 4-Bromo-N-(2-hydroxyethyl)benzenecarboxamide is considered to be a hazardous substance and should be handled with caution due to its potential health and environmental risks.

InChI:InChI=1/C9H10BrNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)

Upstream product

• 951885-58-8 2-(4-bromobenzamido)ethyl 4-bromobenzoate 
• 141-43-5 ethanolamine 
• 586-75-4 4-chlorobenzoyl chloride 
• 623-00-7 4-bromobenzenecarbonitrile 
• 586-76-5 4-Bromobenzoic acid 
• 5798-75-4 Ethyl 4-bromobenzoate 
• 619-42-1 4-methoxycarbonylphenyl bromide 
• 18292-63-2 1-(p-bromobenzoyl)aziridine 

Downstream Products

• 1073353-51-1 N-(2-hydroxyethyl)benzamide-4-boronic acid pinacol ester 
• 120047-91-8 n-butyl 4-bromobenzoate 
• 189120-01-2 2-(4-bromo-phenyl)-4,5-dihydro-oxazole 
• 914076-81-6 C₆(C₆H₄CH₃)3(C₆H₄C₃H₄NO)3 
• 914076-87-2 C₁₈H₁₅NO 

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.

Discovery of 1,1′-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors

New 1,1′-biphenylsulfonamides were synthesized and evaluated as inhibitors of the ubiquitous human carbonic anhydrase isoforms I, II, IX, XII, and XIV using acetazolamide (AAZ) as reference compound. The sulfonamides 1-21 inhibited all the isoforms, with Ki values in the nanomolar range of concentration, and were superior to AAZ against all of them. X-ray crystallography and molecular modeling studies on the adducts that compound 20, the most potent hCA XIV inhibitor of the series (Ki = 0.26 nM), formed with the five hCAs, provided insight into the molecular determinants responsible for the high affinity of this molecule toward the target enzymes. The results pave the way to the development of 1.1′-biphenylsulfonamides as a new class of highy potent hCA XIV inhibitors.

PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS

The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess B-Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.