857488-74-5

Basic information

• Product Name: N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine
• CAS NO: 857488-74-5
• Molecular Weight: 348.339
• Mol File: 857488-74-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine(CAS DataBase Reference)
• NIST Chemistry Reference: N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine(857488-74-5)
• EPA Substance Registry System: N-benzenesulfonyl-N'-(4-nitro-benzoyl)-guanidine(857488-74-5)

Safety Data

• Hazardous Substances Data: 857488-74-5(Hazardous Substances Data)

Upstream product

• 122-04-3 4-nitro-benzoyl chloride 
• 4392-37-4 benzenesulphonylguanidine 
• 3166-02-7 (4-nitro-benzoyl)-guanidine 
• 98-09-9 benzenesulfonyl chloride 
• 62-23-7 4-nitro-benzoic acid 

Relevant articles and documents

Structure-based drug designing, scoring, and synthesis of some substituted sulphonylureas/guanidine-based derivatives as hypoglycemic agents

Objective: The present work deals with the designing, scoring, synthesis and, characterization of 1-(4-(2-(4-Substitutedphenylamino)-2-oxoethyl)phenylsulfonyl)-3-(4-substitutedbenzoyl)urea (5A-5B),1-(4-(2-(4-substitutedphenylamino)-2-oxoethyl)phenylsulfonyl)-3-(4-substituted-benzoyl)guanidine(5C-5E) and, 1-(4-Substitutedbenzoyl)-3-(4-(2-oxo-2-(piperazin-1-yl)ethyl)phenylsulfonyl)urea (5F-5H) based derivatives as hypoglycemic agents. Methods: Docking calculations were performed to predict the binding affinity between the AKR1C1 complexes and sulphonylureas compounds using the Glide docking program. Docking studies on LigPrep treated ligands were carried out to predict the binding pocket of protein 4YVP using the docking program. The QikProp program was used to predict the ADME/T properties of the analogues. All these newly synthesized compounds were screened for their in vivo hypoglycemic activity by most relevant animal models like alloxan-induced diabetic rats by measuring blood plasma concentration compared with reference drug glibenclamide. Results: Novel compounds 1-(4-(2-(4-Substitutedphenylamino)-2-oxoethyl)phenylsulfonyl)-3-(4-substitutedbenzoyl)urea (5A-5B), 1-(4-(2-(4-substitutedphenylamino)-2-oxoethyl)phenylsulfonyl)-3-(4-substitutedbenzoyl) guanidine (5C-5E), and 1-(4-Substitutedbenzoyl)-3-(4-(2-oxo-2-(piperazin-1-yl)ethyl)phenylsulfonyl)urea (5F-5H) were synthesised and characterized using spectral and analytical data. The results of molecular docking and in vivo hypoglycemic activity, all compounds have shown considerable activity with respect to glibenclimide, but compounds 5D (52.49±7.73) and 5E(48.18±4.22)are equipotent with respect to activity as compared to standard glibenclamide(55.97±3.19). Conclusion: Compounds 5D and 5E have exhibited good hypoglycemic activity,hence both the derivatives will consider as a lead molecule and further some modification in their structures to get a more potent anti-diabetic agent.