6437-06-5

Basic information

• Product Name: 3,4,5-triethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
• Synonyms: benzamide, 3,4,5-triethoxy-N-[[(4-fluoro-3-nitrophenyl)amino]thioxomethyl]-
• CAS NO: 6437-06-5
• Molecular Formula: C₁₀H₁₀N₂OS
• Molecular Weight: 451.4686
• Mol File: 6437-06-5.mol
• Article Data: 7

Chemical Properties

• Density: 1.342g/cm³
• Refractive Index: 1.611
• CAS DataBase Reference: 3,4,5-triethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-triethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide(6437-06-5)
• EPA Substance Registry System: 3,4,5-triethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide(6437-06-5)

Safety Data

• Hazardous Substances Data: 6437-06-5(Hazardous Substances Data)

Upstream product

• 54855-81-1 2-methylthioquinazolin-4(3H)-one 
• 74-88-4 methyl iodide 
• 82018-09-5 2-mercapto-4(3H)-quinazolinone sodium salt 
• 80-48-8 methyl p-toluene sulfonate 
• 13906-09-7 2-thioxo-2,3-dihydro-1H-quinazolin-4-one 
• 118-92-3 anthranilic acid 
• 1705-09-5 3-methyl-4-oxoquinazoline-2-thione 
• 77-78-1 dimethyl sulfate 
• 13906-09-7 2-mercapto-3H-quinazolin-4-one 

Downstream Products

• 61507-80-0 2-hydrazino-3-methyl-4a,8a-dihydro-3H-quinazolin-4-one 
• 109791-99-3 3-methyl-2-<3-<3-(1-piperidinylmethyl)phenoxy>propylamino>-4(3H)-quinazolinone 

Relevant articles and documents

Identification and optimization of a new series of anti-tubercular quinazolinones

A high throughput phenotypic screening against Mycobacterium smegmatis led us to the discovery of a new class of bacteriostatic, highly hydrophobic antitubercular quinazolinones that potently inhibited the in vitro growth of either extracellular or intramacrophagic M. tuberculosis (Mtb), via modulation of an unidentified but yet novel target. Optimization of the initial hit compound culminated in the identification of potent but poorly soluble Mtb growth inhibitors, three of which were progressed to in vivo efficacy studies. Despite nanomolar in vitro potency and attractive PK properties, none of these compounds was convincingly potent in our in vivo mouse tuberculosis models. This lack of efficacy may be linked to the poor drug-likeness of the test molecules and/or to the properties of the target.[Figure presented]

Phase-transfer catalyzed alkylation and cycloalkylation of 2-mercaptoquinazolin-4(3H)-one

Solid/liquid phase-transfer catalyzed alkylation of 2-mercaptoquinazolin- 4(3H)-one at 25°C by different organohalogen compounds in the presence of tetrabutylammonium bromide as a catalyst underwent, exclusively, S-monoalkylation or S- and N-, di-, or cyc

SYNTHESIS OF 2-ALKYLTHIOQUINAZOL-4-ONES

Alkylation of 2-thioxoquinazol-4-one by different alkylating agents was studied, and it was found that the reaction proceeds at the exocyclic sulfur atom with the formation of 2-alkylthioquinazol-4-ones.