81761-79-7

Basic information

• Product Name: 1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester
• Synonyms: 1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester
• CAS NO: 81761-79-7
• Molecular Weight: 387.391
• Mol File: 81761-79-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester(81761-79-7)
• EPA Substance Registry System: 1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid methyl ester(81761-79-7)

Safety Data

• Hazardous Substances Data: 81761-79-7(Hazardous Substances Data)

Upstream product

• 658-27-5 m-fluorophenylhydrazine 
• 5510-10-1 2-methyl-2H-1,2-benzothiazine-4-(3H)-one-1,1-dioxyde 
• 81761-73-1 2-methyl-3,4-dihydro-3-carbomethoxycarbonyl-2H<1,2>benzotiazin-4-one-1,1-dioxide 

Downstream Products

• 1426397-03-6 1-(3-fluorophenyl)-4-methyl-1,4-dihydropyrazolo[4,3-c][1,2]benzothiazine-3-carboxylic acid 5,5-dioxide 
• 1426397-09-2 C₂₄H₂₀FN₅O₅S₂ 
• 1426397-19-4 C₂₄H₁₉FN₄O₆S₂ 
• 1426397-20-7 1-(3-fluorophenyl)-4-methyl-N-(4-nitrophenyl)-1,4-dihydropyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide 5,5-dioxide 
• 1426397-21-8 C₂₃H₁₈FN₅O₃S 
• 81762-01-8 1-(3-Fluoro-phenyl)-4-methyl-5,5-dioxo-4,5-dihydro-1H-5λ⁶-thia-1,2,4-triaza-cyclopenta[a]naphthalene-3-carboxylic acid (3-morpholin-4-yl-propyl)-amide 

Relevant articles and documents

Structure-based discovery of pyrazolobenzothiazine derivatives as inhibitors of hepatitis C virus replication

The NS5B RNA-dependent RNA polymerase is an attractive target for the development of novel and selective inhibitors of hepatitis C virus replication. To identify novel structural hits as anti-HCV agents, we performed structure-based virtual screening of our in-house library followed by rational drug design, organic synthesis, and biological testing. These studies led to the identification of pyrazolobenzothiazine scaffold as a suitable template for obtaining novel anti-HCV agents targeting the NS5B polymerase. The best compound of this series was the meta-fluoro-N-1-phenyl pyrazolobenzothiazine derivative 4a, which exhibited an EC50 = 3.6 μM, EC90 = 25.6 μM, and CC50 > 180 μM in the Huh 9-13 replicon system, thus providing a good starting point for further hit evolution.