965-82-2

Basic information

• Product Name: Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-ethyl-
• CAS NO: 965-82-2
• Molecular Formula: C15H22N2O3S
• Molecular Weight: 310.417
• Mol File: 965-82-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-ethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-ethyl-(965-82-2)
• EPA Substance Registry System: Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-ethyl-(965-82-2)

Safety Data

• Hazardous Substances Data: 965-82-2(Hazardous Substances Data)

Upstream product

• 138-38-5 4-ethylbenzenesulfonamide 
• 3173-53-3 Cyclohexyl isocyanate 
• 16712-69-9 p-ethylbenzenesulfonyl chloride 

Relevant articles and documents

Investigation of structure-activity relationships in a series of glibenclamide analogues

In this study, the synthesis of 15 new glibenclamide analogues is described. The conformational trends of these analogues were investigated using Monte Carlo conformational analysis. The conformational analysis results resolved the discrepancy between previous molecular modelling simulations of glibenclamide and allowed rationalizing the effect of aqueous environment on the overall conformation. The 3D-QSAR study was carried out with respect to the compounds' ability to antagonize the [3H]-glibenclamide binging in rat cerebral cortex. Superimposition of the antagonists was performed using the conformations derived from atom-by-atom fit to the glibenclamide crystal structure and this alignment was used to develop CoMFA models. CoMFA provided a good predictability: number of PLS components = 2, q2 = 0.876, R 2 = 0.921, SEE = 0.455 and F = 70. Best CoMFA models showed the steric and lipophilic properties as the major interacting forces whilst the electrostatic property contribution was a minor factor.