137351-54-3

Basic information

• Product Name: 1-(4-bromophenyl)-3-butylurea
• Synonyms: 1-(4-bromophenyl)-3-butylurea
• CAS NO: 137351-54-3
• Molecular Formula: C₁₁H₁₅BrN₂O
• Molecular Weight: 271.1536
• Mol File: 137351-54-3.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(4-bromophenyl)-3-butylurea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-bromophenyl)-3-butylurea(137351-54-3)
• EPA Substance Registry System: 1-(4-bromophenyl)-3-butylurea(137351-54-3)

Safety Data

• Hazardous Substances Data: 137351-54-3(Hazardous Substances Data)

Upstream product

• 106-40-1 4-bromo-aniline 
• 111-36-4 n-butyl isocyanide 
• 2493-02-9 4-bromophenyl isocyanate 
• 109-73-9 N-butylamine 
• 103-71-9 phenyl isocyanate 

Relevant articles and documents

Design, Biological Evaluation, and Molecular Modeling of Tetrahydroisoquinoline Derivatives: Discovery of A Potent P-Glycoprotein Ligand Overcoming Multidrug Resistance in Cancer Stem Cells

P-Glycoprotein is a well-known membrane transporter responsible for the efflux of an ample spectrum of anticancer drugs. Its relevance in the management of cancer chemotherapy is increased in view of its high expression in cancer stem cells, a population of cancer cells with strong tumor-promoting ability. In the present study, a series of compounds were synthesized through structure modulation of [4′-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)biphenyl-4-ol] (MC70), modifying the phenolic group of the lead compound. Among them, compound 5b emerged for its activity against the transporter (EC50 = 15 nM) and was capable of restoring doxorubicin antiproliferative activity at nontoxic concentration. Its behavior was rationalized through a molecular modeling study consisting of a well-tempered metadynamics simulation, which allowed one to identify the most favorable binding pose, and of a subsequent molecular dynamics run, which indicated a peculiar effect of the compound on the motion pattern of the transporter.

Efficient Direct Halogenation of Unsymmetrical N -Benzyl- and N -Phenylureas with Trihaloisocyanuric Acids

A simple and efficient methodology for the direct halogenation of N -phenylureas was developed using trihaloisocyanuric acids in acetonitrile at room temperature. This protocol proved to be effective for the construction of N -phenylureas with different patterns of substitution. Additionally, less reactive N -benzylureas were halogenated in the presence of a mixture of trifluoroacetic acid and acetonitrile at room temperature.

KINETICS OF REACTIONS OF para-SUBSTITUTED PHENYL ISOCYANATES WITH AMINES AND ALCOHOLS

The reaction of para-substituted phenyl isocyanates with amines and alcohols was studied by stopped-flow method.The Hammett correlation obtained showed that the sensitivity of the above mentioned reactions toward substituent effects is the same as that of