1310480-62-6

Basic information

• Product Name: 1-(2-chlorobenzyl)-3,3-dimethyl-1-(naphthalen-1-yl)urea
• CAS NO: 1310480-62-6
• Molecular Weight: 338.837
• Mol File: 1310480-62-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-(2-chlorobenzyl)-3,3-dimethyl-1-(naphthalen-1-yl)urea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-chlorobenzyl)-3,3-dimethyl-1-(naphthalen-1-yl)urea(1310480-62-6)
• EPA Substance Registry System: 1-(2-chlorobenzyl)-3,3-dimethyl-1-(naphthalen-1-yl)urea(1310480-62-6)

Safety Data

• Hazardous Substances Data: 1310480-62-6(Hazardous Substances Data)

Upstream product

• 113250-80-9 (2-chlorobenzyl)(naphthalen-1-yl)amine 
• 68-12-2 N,N-dimethyl-formamide 
• 134-32-7 1-amino-naphthalene 
• 89-98-5 2-chloro-benzaldehyde 
• 113250-73-0 (2-chloro-benzylidene)-[1]naphthyl-amine 

Relevant articles and documents

Use of Quantitative Structure - Activity Relationship (QSAR) and ADMET prediction studies as screening methods for design of benzyl urea derivatives for anti-cancer activity

2D and 3D quantitative structure-activity relationship studies have been carried out for establishing a correlation between the structural properties of benzyl urea derivatives and their anti-tumour activities. From this correlation, the new chemical entities were designed, and their activity and absorption, distribution, metabolism, excretion, and toxicity properties were also predicted. Finally, the most promising compounds from these screening were synthesized and biologically evaluated for their anti-cancer properties. Compound 1-(2, 4-dimethylphenyl)-3, 3-dimethyl-1-(2-nitrobenzyl) urea (7d) showed significant anti-proliferative activity (at 100 μg/mL) in human cancer cell lines-T-cell leukemia (Jurkat J6), myelogenous leukemia (K562), and breast cancer (MCF-7) compared to reference standard 5-flurouracil.