104080-55-9

Basic information

• Product Name: 4-(4-ACETYLPIPERAZIN-1-YL)BENZOIC ACID
• Synonyms: AKOS BB-4072;4-(4-ACETYLPIPERAZIN-1-YL)BENZOIC ACID;1-[4-(4-Carboxyphenyl)piperazin-1-yl]ethan-1-one, 1-Acetyl-4-(4-carboxyphenyl)piperazine
• CAS NO: 104080-55-9
• Molecular Formula: C₁₃H₁₆N₂O₃
• Molecular Weight: 248.28
• Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Carboxylic Acids;Phenyls & Phenyl-Het
• Mol File: 104080-55-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 501.2±45.0 °C(Predicted)
• Appearance: /
• Density: 1.263±0.06 g/cm3(Predicted)
• PKA: 5.12±0.10(Predicted)
• CAS DataBase Reference: 4-(4-ACETYLPIPERAZIN-1-YL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-ACETYLPIPERAZIN-1-YL)BENZOIC ACID(104080-55-9)
• EPA Substance Registry System: 4-(4-ACETYLPIPERAZIN-1-YL)BENZOIC ACID(104080-55-9)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 104080-55-9(Hazardous Substances Data)

Upstream product

• 234082-33-8 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester 
• 451-46-7 4-fluorobenzoic acid ethyl ester 
• 80518-57-6 ethyl 4-(piperazin-1-yl)benzoate 

Relevant articles and documents

Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents

To discover antifungal compounds with broad-spectrum and stable metabolism, a series of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives was designed and synthesized. Compounds A30-A34 exhibited excellent broad-spectrum antifungal activity against Candida albicans with MIC values in the range of 0.03–0.5 μg/mL, and against Cryptococcus neoformans and Aspergillus fumigatus with MIC values in the range of 0.25–2 μg/mL. In addition, compounds A31 and A33 showed high metabolic stability in human liver microsomes in vitro, with the half-life of 80.5 min and 69.4 min, respectively. Moreover, compounds A31 and A33 showed weak or almost no inhibitory effect on the CYP3A4 and CYP2D6. The pharmacokinetic evaluation in SD rats showed that compound A31 had suitable pharmacokinetic properties and was worthy of further study.