1016521-87-1

Basic information

• Product Name: 3-(5-amino-1,3,4-oxadiazol-2-yl)benzonitrile
• Synonyms: 3-(5-amino-1,3,4-oxadiazol-2-yl)benzonitrile
• CAS NO: 1016521-87-1
• Molecular Formula: C₉H₆N₄O
• Molecular Weight: 186.17
• Mol File: 1016521-87-1.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(5-amino-1,3,4-oxadiazol-2-yl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(5-amino-1,3,4-oxadiazol-2-yl)benzonitrile(1016521-87-1)
• EPA Substance Registry System: 3-(5-amino-1,3,4-oxadiazol-2-yl)benzonitrile(1016521-87-1)

Safety Data

• Hazardous Substances Data: 1016521-87-1(Hazardous Substances Data)

Upstream product

• 1450828-14-4 2-(3-cyanobenzoyl)hydrazinecarbothioamide 
• 1711-11-1 3-cyanobenzoyl chloride 
• 1877-72-1 3-Cyanobenzoic acid 

Relevant articles and documents

Synthesis, SAR elucidations and molecular docking study of newly designed isatin based oxadiazole analogs as potent inhibitors of thymidine phosphorylase

Thymidine phosphorylase is an enzyme involved in pyrimidine salvage pathway that is identical to platelet-derived endothelial cell growth factor (PD-ECGF) and gliostatin. It is enormously up regulated in a variety of solid tumors. Furthermore, surpassing of TP level protects tumor cells from apoptosis and helps cell survival. Thus TP is identified as a prime target for developing novel anticancer therapies. A new class of exceptionally potent isatin based oxadiazole (1–30) has been synthesized and evaluated for thymidine phosphorylase inhibitory potential. All analogs showed potent thymidine phosphorylase inhibition when compared with standard 7-Deazaxanthine, 7DX (IC50 = 38.68 ± 1.12 μM). Molecular docking study was performed in order to determine the binding interaction of these newly synthesized compounds, which revealed that these synthesized compounds established stronger hydrogen bonding network with active site of residues as compare to the standard compound 7DX.