93073-14-4

Basic information

• Product Name: 4-AMINO-5-(4-METHOXYBENZYL)-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: 4-amino-5-(4-methoxybenzyl)-2H-1,2,4-triazole-3-thione;4-amino-5-[(4-methoxyphenyl)methyl]-2H-1,2,4-triazole-3-thione
• CAS NO: 93073-14-4
• Molecular Formula: C₁₀H₁₂N₄OS
• Molecular Weight: 236.3
• Mol File: 93073-14-4.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 378.9°Cat760mmHg
• Flash Point: 182.9°C
• Appearance: /
• Density: 1.4g/cm³
• Vapor Pressure: 6.1E-06mmHg at 25°C
• Refractive Index: 1.688
• CAS DataBase Reference: 4-AMINO-5-(4-METHOXYBENZYL)-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-5-(4-METHOXYBENZYL)-4H-1,2,4-TRIAZOLE-3-THIOL(93073-14-4)
• EPA Substance Registry System: 4-AMINO-5-(4-METHOXYBENZYL)-4H-1,2,4-TRIAZOLE-3-THIOL(93073-14-4)

Safety Data

• Hazardous Substances Data: 93073-14-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H12N4OS/c1-15-8-4-2-7(3-5-8)6-9-12-13-10(16)14(9)11/h2-5H,6,11H2,1H3,(H,13,16)

Upstream product

• 93073-37-1 5-(4-methoxybenzyl)-4-amino-1,3,4-oxadiazole-2-thiol 
• 104-01-8 4-Methoxyphenylacetic acid 
• 23786-14-3 4-methoxy-phenyl acetic acid methyl ester 
• 57676-49-0 2-(4-methoxyphenyl)acetic acid hydrazide 
• 2231-57-4 Thiocarbohydrazide 
• 132573-84-3 potassium 2-[2-(4-methoxyphenyl)acetyl]hydrazinecarbodithioate 
• 75-15-0 carbon disulfide 

Downstream Products

• 93073-22-4 5-(p-methoxybenzyl)-2-phenyl-s-triazolo<3,4-b>-1,3,4-thiadiazole 
• 93073-23-5 6-(4-Chloro-phenyl)-3-(4-methoxy-benzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 
• 886949-15-1 3-(4-methoxyphenylmethyl)-6-(4-chlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine 
• 933228-88-7 3-(4-methoxyphenylmethyl)-6-(4-fluorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine 
• 893706-29-1 3-(4-methoxyphenylmethyl)-6-phenyl-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine 
• 903588-88-5 3-(4-methoxybenzyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 
• 1394137-60-0 C₁₇H₁₂F₂N₄OS 

Relevant articles and documents

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Facile synthesis, biological evaluation and molecular docking studies of novel substituted azole derivatives

In this study, we synthesized the series of novel azole derivatives and evaluated for enzyme inhibition assays, corresponding kinetic analysis and molecular modeling. Among the investigated bioassays, the oxadiazole derivatives 4a-k were found potent α-glucosidase inhibitors while the Schiff base derivatives 7a-k exhibited considerable potential toward urease inhibition. The inhibition kinetics for the most active compounds were analyzed by the Lineweaver–Burk plots to investigate the possible binding modes of the synthesized compounds toward the tested proteins. Moreover, the detailed docking studies were performed on the synthesized library of 4a-k and 7a-k to study the molecular interaction and binding mode in the active site of the modeled yeast α-glucosidase and Jack Bean Urease, respectively. It could be inferred from docking results that theoretical studies are in close agreement to that of the experimental results. The structure of one of the compound 7k was characterized by the single crystal X-ray diffraction analysis in order to find out the predominant conformation of the molecules.