5553-61-7

Basic information

• Product Name: N-{[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3-nitrobenzamide
• CAS NO: 5553-61-7
• Molecular Formula: C₁₅H₁₆N₂O₂
• Molecular Weight: 322.2999
• Mol File: 5553-61-7.mol
• Article Data: 1

Chemical Properties

• Density: 1.64g/cm³
• Refractive Index: 1.71
• CAS DataBase Reference: N-{[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3-nitrobenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-{[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3-nitrobenzamide(5553-61-7)
• EPA Substance Registry System: N-{[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3-nitrobenzamide(5553-61-7)

Safety Data

• Hazardous Substances Data: 5553-61-7(Hazardous Substances Data)

Upstream product

• 2048-50-2 benzyloxyurea 
• 100-44-7 benzyl chloride 
• 590-28-3 potassium cyanate 

Relevant articles and documents

Synthesis, antitumor evaluation and crystal structure of hydroxyurea derivatives

A series of hydroxyurea derivatives have been synthesized and elucidated by means of FT-IR, 1H-, 13C-NMR and MS. The exact stereostructures of representative compounds have been determined by X-ray crystal structure analysis. In the crystals, inversion dimers linked by pairs of N-H...O hydrogen bonds occurred, and further N-H...O links led to chains of molecules. In vitro antitumor activities against Tca8113 human tongue cancer cells and L1210 murine leukemia cells were evaluated. A total of 8 of the 12 compounds had higher inhibitory activities than hydroxyurea against L1210 cells. Among them, the most promising compounds were 3e, 3d, 3a and 2d.