63031-39-0

Basic information

• Product Name: 5,6-DI-P-TOLYL-[1,2,4]TRIAZINE-3-THIOL
• Synonyms: 3-Mercapto-5,6-bis(4-methylphenyl)-1,2,4-triazine
• CAS NO: 63031-39-0
• Molecular Formula: C₁₇H₁₅N₃S
• Molecular Weight: 293.39
• Mol File: 63031-39-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 420.2°Cat760mmHg
• Flash Point: 207.9°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 2.87E-07mmHg at 25°C
• Refractive Index: 1.66
• PKA: 9.55±0.60(Predicted)
• CAS DataBase Reference: 5,6-DI-P-TOLYL-[1,2,4]TRIAZINE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5,6-DI-P-TOLYL-[1,2,4]TRIAZINE-3-THIOL(63031-39-0)
• EPA Substance Registry System: 5,6-DI-P-TOLYL-[1,2,4]TRIAZINE-3-THIOL(63031-39-0)

Safety Data

• Hazardous Substances Data: 63031-39-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C17H15N3S/c1-11-3-7-13(8-4-11)15-16(19-20-17(21)18-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,20,21)

Upstream product

• 104-87-0 4-methyl-benzaldehyde 
• 1218-89-9 4,4'-dimethylbenzoin 
• 3457-48-5 1,2-di(4-methylphenyl)-1,2-ethanedione 
• 79-19-6 thiosemicarbazide 

Downstream Products

• 63031-38-9 3-methylmercapto-5,6-bis(4-methylphenyl)-1,2,4-triazine 
• 63074-37-3 3-methoxy-5,6-ditolyl-1,2,4-triazine 
• 1478982-11-4 3-((pyridin-3-ylmethyl)thio)-5,6-di-p-tolyl-1,2,4-triazine 
• 1478982-08-9 3-((pyridin-4-ylmethyl)thio)-5,6-di-p-tolyl-1,2,4-triazine 

Relevant articles and documents

Synthesis, anti-proliferative evaluation, and molecular docking studies of 3-(Alkylthio)-5,6-diaryl-1,2,4-triazines as tubulin polymerization inhibitors

Background: The role of microtubules in cell division and signaling, intercellular transport, and mitosis has been well known. Hence, they have been targeted for several anti-cancer drugs. Methods: A series of 3-(alkylthio)-5,6-diphenyl-1,2,4-triazines were prepared and evaluated for their cytotoxic activities in vitro against three human cancer cell lines; human colon carcinoma cells HT-29, human breast adenocarcinoma cell line MCF-7, human Caucasian gastric adenocarcinoma cell line AGS as well as fibroblast cell line NIH-3T3 by MTT assay. Docking simulation was performed to insert these compounds into the crystal structure of tubulin at the colchicine binding site to determine a probable binding model. Compound 5d as the most active compound was selected for studying of microtubule disruption. Results: Compound 5d showed potent cytotoxic activity against all cell lines. The molecular modeling study revealed that some derivatives of triazine strongly bind to colchicine binding site. The tubulin polymerization assay kit showed that the cytotoxic activity of 5d may be related to inhibition of tubulin polymerization. Conclusion: The cytotoxicity and molecular modeling study of the synthesized compounds with their inhibition activity in tubulin polymerization demonstrate the potential of triazine derivatives for development of new anti-cancer agents.

Microwave-assisted synthesis and anticonvulsant activity of 5,6-bisaryl-1,2,4-triazine-3-thiolderivatives

A series of 5,6-bisaryl-1,2,4-triazine-3-thiol derivatives were synthesized through microwave-promoted chemistry by condensation of the aromatic 1,2-diketones and thiosemicarbazide in a mixed green solvent. Subsequently, S-alkylation of 1,2,4-triazine-3-t

5,6-DIARYL-1,2,4-TRIAZINES

5,6-Diaryl-1,2,4-triazines, topically-active anti-inflammatory agents, having the formula, STR1 wherein R is hydrogen or --(X)n R1, in which X is either O or S, n is an integer which is either 0 or 1, and R1 is C1/su