54346-18-8

Basic information

• Product Name: 2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(3H)-ONE
• Synonyms: 2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(3H)-ONE;2-(Methylsulfanyl)-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4-ol;2-(Methylthio)pyrazolo[1,5-a]-1,3,5-triazin-4-one;2-(methylsulfanyl)-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one;(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one;2-methylsulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one;pyrazolo[1,5-a][1,3,5]triazin-4(3H)
• CAS NO: 54346-18-8
• Molecular Formula: C₆H₆N₄OS
• Molecular Weight: 182.206
• Mol File: 54346-18-8.mol
• Article Data: 16

Chemical Properties

• Appearance: /
• Density: 1.68
• Refractive Index: 1.813
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 7.03±0.20(Predicted)
• CAS DataBase Reference: 2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(3H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(3H)-ONE(54346-18-8)
• EPA Substance Registry System: 2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(3H)-ONE(54346-18-8)

Safety Data

• Hazardous Substances Data: 54346-18-8(Hazardous Substances Data)

Usage

General Description

2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one is a chemical compound belonging to the class of organic compounds known as pyrazolotriazines. This structure incorporates a fused six-membered triazine ring with a five-membered pyrazole ring. The specific molecule contains a methylthio functional group attached to the pyrazole ring. It is organic, sulfur and nitrogen-rich compound known for its diverse chemical properties. The molecular formula for this chemical compound is C5H5N5S. Detailed properties such as stability, toxicity, physical states and solubility in various solvents will need to be investigated via chemical analysis.

InChI:InChI=1/C6H6N4OS/c1-12-5-8-4-2-3-7-10(4)6(11)9-5/h2-3H,1H3,(H,8,9,11)

Upstream product

• 34682-99-0 2-sulfanylidene-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one 
• 74-88-4 methyl iodide 
• 34683-00-6 ethyl N-[(1H-pyrazol-5-yl)carbamothioyl]carbamate 
• 34682-99-0 2-sulfanylpyrazolo[1,5-a][1,3,5]triazin-4-ol 
• 34683-00-6 N-[(1H-pyrazol-3-ylamino)thioxomethyl]carbamic acid ethyl ester 

Downstream Products

• 515880-10-1 4-(N-methyl-N-phenylamino)-2-(methylsulfanyl)pyrazolo[1,5-a]-1,3,5-triazine 
• 54346-19-9 4-chloro-2-methylthiopyrazolo(1,5-a)-1,3,5-triazine 
• 1162654-55-8 4-(N-methyl-N-phenylamino)-2-(methylsulfonyl)pyrazolo[1,5-a]-1,3,5-triazine 
• 1358769-17-1 C₁₉H₂₆N₆O₂ 
• 1358769-19-3 C₂₄H₂₅Br₂N₇O 
• 1358769-23-9 C₂₄H₂₄Br₂ClN₇O 
• 54346-33-7 8-bromo-2-(methylthio)-4-chloropyrazolo<1,5-a>-1,3,5-triazine 
• 54346-35-9 8-bromo-2-(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazin-4-ol 
• 54346-35-9 8-bromo-2-(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one 

Relevant articles and documents

Microwave-assisted sequential one-pot synthesis of 8-substituted pyrazolo[1,5-a][1,3,5]triazines

This paper reports a convenient sequential one-pot approach for the synthesis of an array of 14 pyrazolo[1,5-a][1,3,5]triazines, substituted in C8 by halogen (Br), various functions (CN and CO2Et)2 and alkyl or (het)aryl groups. This study conf

IMIDAZOTRIAZINES ACTING ON CANCER VIA INHIBITION OF CDK12

The present invention provides compounds of general formula (I): in which X, R1, R2 and R3 are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders such as cancer disorders, as a sole agent or in combination with other active ingredients.

Chemical Validation of DegS As a Target for the Development of Antibiotics with a Novel Mode of Action

Despite the availability of hundreds of antibiotic drugs, infectious diseases continue to remain one of the most notorious health issues. In addition, the disparity between the spread of multidrug-resistant pathogens and the development of novel classes of antibiotics exemplify an important unmet medical need that can only be addressed by identifying novel targets. Herein we demonstrate, by the development of the first in vivo active DegS inhibitors based on a pyrazolo[1,5-a]-1,3,5-triazine scaffold, that the serine protease DegS and the cell envelope stress-response pathway σE represent a target for generating antibiotics with a novel mode of action. Moreover, DegS inhibition is synergistic with well-established membrane-perturbing antibiotics, thereby opening promising avenues for rational antibiotic drug design.