500730-57-4

Basic information

• Product Name: 4-bromo-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide
• Synonyms: 4-bromo-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide
• CAS NO: 500730-57-4
• Molecular Weight: 308.196
• Mol File: 500730-57-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 4-bromo-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromo-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide(500730-57-4)
• EPA Substance Registry System: 4-bromo-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide(500730-57-4)

Safety Data

• Hazardous Substances Data: 500730-57-4(Hazardous Substances Data)

Upstream product

• 99187-28-7 4-bromo-benzenesulfonic acid-(β-chloro-isobutylamide) 
• 2854-16-2 1-Amino-2-methyl-propan-2-ol 
• 98-58-8 4-bromobenzenesulfonyl chloride 

Downstream Products

• 5048-67-9 1-(4-bromo-benzenesulfonyl)-2,2-dimethyl-aziridine 
• 701-34-8 4-bromo-benzenesulfonic acid amide 
• 78-84-2 isobutyraldehyde 
• 99187-28-7 4-bromo-benzenesulfonic acid-(β-chloro-isobutylamide) 

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.

Light-Mediated Formal Radical Deoxyfluorination of Tertiary Alcohols through Selective Single-Electron Oxidation with TEDA2+.

The synthesis of tertiary alkyl fluorides through a formal radical deoxyfluorination process is described herein. This light-mediated, catalyst-free methodology is fast and broadly applicable allowing for the preparation of C?F bonds from (hetero)benzylic, propargylic, and non-activated tertiary alcohol derivatives. Preliminary mechanistic studies support that the key step of the reaction is the single-electron oxidation of cesium oxalates—which are readily available from the corresponding tertiary alcohols—with in situ generated TEDA2+. (TEDA: N-(chloromethyl)triethylenediamine), a radical cation derived from Selectfluor.