69466-82-6

Basic information

• Product Name: 3-(Methylthio)-5-(4-bromophenyl)-1,2,4-triazine
• Synonyms: 3-(Methylthio)-5-(4-bromophenyl)-1,2,4-triazine;5-(p-Bromophenyl)-3-(methylthio)-1,2,4-triazine
• CAS NO: 69466-82-6
• Molecular Formula: C₁₀H₈BrN₃S
• Molecular Weight: 282.16
• Mol File: 69466-82-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 155-156 °C
• Boiling Point: 453.6°C at 760 mmHg
• Flash Point: 228.1°C
• Appearance: /
• Density: 1.63g/cm³
• Vapor Pressure: 5.49E-08mmHg at 25°C
• Refractive Index: 1.682
• PKA: 0.81±0.63(Predicted)
• CAS DataBase Reference: 3-(Methylthio)-5-(4-bromophenyl)-1,2,4-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Methylthio)-5-(4-bromophenyl)-1,2,4-triazine(69466-82-6)
• EPA Substance Registry System: 3-(Methylthio)-5-(4-bromophenyl)-1,2,4-triazine(69466-82-6)

Safety Data

• Hazardous Substances Data: 69466-82-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H8BrN3S/c1-15-10-13-9(6-12-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3

Upstream product

• 99-90-1 para-bromoacetophenone 
• 5195-29-9 4-bromophenylglyoxal 
• 35600-34-1 S-methyl isothiosemicarbazide hydroiodide 

Downstream Products

• 69466-84-8 3-Methoxy-5-(4'-bromphenyl)-1,2,4-triazin 

Relevant articles and documents

Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase

Inorganic pyrophosphatases are potential targets for the development of novel antibacterial agents. A pyrophosphatase-coupled high-throughput screening assay intended to detect o-succinyl benzoic acid coenzyme A (OSB CoA) synthetase inhibitors led to the unexpected discovery of a new series of novel inorganic pyrophosphatase inhibitors. Lead optimization studies resulted in a series of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazine derivatives that were prepared by an efficient synthetic pathway. One of the tetracyclic triazine analogues 22h displayed promising antibiotic activity against a wide variety of drug-resistant Staphylococcus aureus strains, as well as activity versus Mycobacterium tuberculosis and Bacillus anthracis, at a concentration that was not cytotoxic to mammalian cells.

Pharmacologically active substituted 1,2,4-triazines

Substituted 1,2,4-triazines, compositions thereof and methods of using same are described. The compounds of the invention exhibit a wide range of pharmacological activity including anti-inflammatory, analgesic, anti-pyretic, hypotensive and central nervous system effects.