440341-64-0

Basic information

• Product Name: 3-[(4-FLUOROBENZOYL)AMINO]PROPANOIC ACID
• Synonyms: 3-[(4-FLUOROBENZOYL)AMINO]PROPANOIC ACID;AKOS BBV-009274;N-(4-FLUOROBENZOYL)-BETA-ALANINE;OTAVA-BB 1046110;UKRORGSYN-BB BBV-009274;N-(4-fluorobenzoyl)-beta-alanine(SALTDATA: FREE)
• CAS NO: 440341-64-0
• Molecular Formula: C₁₀H₁₀FNO₃
• Molecular Weight: 211.19
• Mol File: 440341-64-0.mol

Chemical Properties

• Boiling Point: 436.6°C at 760 mmHg
• Flash Point: 217.9°C
• Appearance: /
• Density: 1.306g/cm³
• Vapor Pressure: 2.14E-08mmHg at 25°C
• Refractive Index: 1.539
• CAS DataBase Reference: 3-[(4-FLUOROBENZOYL)AMINO]PROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(4-FLUOROBENZOYL)AMINO]PROPANOIC ACID(440341-64-0)
• EPA Substance Registry System: 3-[(4-FLUOROBENZOYL)AMINO]PROPANOIC ACID(440341-64-0)

Safety Data

• Hazardous Substances Data: 440341-64-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H10FNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)

Upstream product

• 403-43-0 4-fluorobenzoyl chloride 
• 107-95-9 3-amino propanoic acid 
• 456-22-4 4-Fluorobenzoic acid 
• 1299469-67-2 benzyl 3-(4-fluorobenzamido)propanoate 

Downstream Products

• 1299469-68-3 N,N'-(3,7,13,17-tetraoxo-4,8,12,16-tetraazanonadecane-1,19-diyl)bis-(4-fluorobenzamide) 
• 1299469-65-0 N,N'-(3,7,13,17-tetrathioxo-4,8,12,16-tetraazanonadecane-1,19-diyl)bis-(4-hydroxybenzothioamide) 

Relevant articles and documents

Design, synthesis and biological evaluation of novel plumbagin derivatives as potent antitumor agents with STAT3 inhibition

Based on the structure of signal transducer and activator of transcription 3 (STAT3), a series of 1,4-naphthoquinones derived from plumbagin (PL) with STAT3 inhibition potential were designed, synthesized, and biologically evaluated in vitro against several human cancer cell lines (MDA-MB-231, HepG2 and A549 cells) and three normal cells. The structure–activity relationship (SAR) and molecular docking result showed that the presence of hydroxyl group at C-5 of PL might interact with STAT3 in the form of hydrogen bonds, which is conducive to the binding of this kind structures with STAT3. Among the target compounds, 7a displayed the most potent inhibition against cancer cells and weaker cytotoxicity on normal cells than PL. The western bolting analysis showed that 7a could suppress the phosphorylation of STAT3 as well as the downstream genes instead of affecting its upstream tyrosine kinases (Src and JAK2) levels and p-STAT1 expression. Furthermore, molecular docking indicated that 7a bound to STAT3 more tightly than PL, and it could significantly induce the apoptosis of cancer cells in vitro. All these results may provide reference for the discovery of effective STAT3 inhibitors.

Antiterminator-mediated unveiling of cryptic polythioamides in an anaerobic bacterium

Anti-Terminator: Rise of the Molecules: Overexpression of an antiterminator gene (nusG) in Clostridium cellulolyticum induced the biosynthesis of the novel antibiotic closthioamide and related thioamides. This is the first successful genetic engineering of an anaerobe to trigger a cryptic pathway. Furthermore, synthetic probes provide valuable insights into the biogenetic relationship of the rare thioamide metabolites. Copyright

CLOSTHIOAMIDES

This invention relates to the field of biologically active compounds and specifically to closthioamides, pharmaceutical compositions comprising these compounds, and their use as antibiotic, antifungal, and/or cytotoxic agent.