67081-68-9

Basic information

• Product Name: 2-ACETAMIDO-5-METHYLBENZOIC ACID
• Synonyms: 2-ACETAMIDO-5-METHYLBENZOIC ACID;UKRORGSYN-BB BBV-080206
• CAS NO: 67081-68-9
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.2
• Mol File: 67081-68-9.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-ACETAMIDO-5-METHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ACETAMIDO-5-METHYLBENZOIC ACID(67081-68-9)
• EPA Substance Registry System: 2-ACETAMIDO-5-METHYLBENZOIC ACID(67081-68-9)

Safety Data

• Hazardous Substances Data: 67081-68-9(Hazardous Substances Data)

Usage

Physical appearance

White crystalline powder.

Solubility

Soluble in ethanol and acetone, slightly soluble in water.

Use in pharmaceuticals

Used in the synthesis of various pharmaceutical drugs.

Use in organic synthesis

Serves as an intermediate in organic synthesis.

Therapeutic properties

Exhibits anti-inflammatory and analgesic properties.

Potential application

May be a candidate for the development of new therapeutic drugs.

Upstream product

• 2437-73-2 2,3,6-trimethylquinoline 
• 117039-80-2 2,3,6-trimethyl-4(1H)-quinolinone 
• 2941-78-8 2-Amino-5-methylbenzoic acid 
• 108-24-7 acetic anhydride 
• 1196-79-8 2,5-Dimethyl-1H-indole 
• 75-36-5 acetyl chloride 
• 32833-96-8 N,N-dimethyloxamic acid 
• 103-89-9 4-Methylacetanilide 
• 201230-82-2 carbon monoxide 
• 2050-43-3 N-(2,4-dimethylphenyl)acetamide 
• 117039-81-3 1-acetyl-1,2-dihydro-2,5-dimethyl-2-hydroxy-3H-indol-3-one 

Downstream Products

• 4343-28-6 2,6-dimethyl-3-(4-nitro-phenyl)-3H-quinazolin-4-one 
• 108240-34-2 3-(4-ethoxy-phenyl)-2,6-dimethyl-3H-quinazolin-4-one 
• 1123684-99-0 4-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazoline 

Relevant articles and documents

Synthesis, molecular modeling of N-acyl benzoazetinones and their docking simulation on fungal modeled target

A series of stable N-acyl benzoazetinones have been synthesized in moderate to good yields (58–85%) from easily available substrates such as 2-(N-acyl) amino benzoic acids through intramolecular amidation under mild conditions. These geometry-optimized benzoazetinones were docked in the model target of P450, class CYP53A15, a benzoate 4-monooxygenase abundantly found in the genome of ascomycetes and Basidiomycetes classes of pathogenic fungi. Low per residue root-mean-square deviation (RMSD) of modeled structure of the enzyme indicated similar topology as template (4D6Z.pdb). Observed score judges site-specific docking, and the interaction of quantum mechanically optimized benzoazetinone derivatives with the target enzyme. These results suggest that 3i is the best antifungal agent. The specific hydrophobic substituent in the benzoazetinones contributed to the stability of ligand–target complex. Overall, the study provided insight into the specificity of the site-specific interactions, thereby, facilitating the possibility of development of broad-spectrum antifungal agents against opportunistic and infectious fungi.

Synthesis and evaluation of quinazolines as inhibitors of the bacterial cell division protein FtsZ

The bacterial cell division protein FtsZ is one of many potential targets for the development of novel antibiotics. Recently, zantrin Z3 was shown to be a cross-species inhibitor of FtsZ; however, its specific interactions with the protein are still unknown. Herein we report the synthesis of analogues that contain a more tractable core structure and an analogue with single-digit micromolar inhibition of FtsZs GTPase activity, which represents the most potent inhibitor of Escherichia coli FtsZ reported to date. In addition, the zantrin Z3 core has been converted to two potential photo-cross-linking reagents for proteomic studies that could shed light on the molecular interactions between FtsZ and molecules related to zantrin Z3.

Improved synthesis of 3,4-dihydro-2,6-dimethyl-4-oxoquinazoline

-