13450-77-6

Basic information

• Product Name: (4-CHLORO-BENZOYLAMINO)-ACETIC ACID
• Synonyms: OTAVA-BB BB7210742318;4-chlorobenzoylglycine;4-chlorohippuricacid;n-(4-chlorobenzoyl)-glycin;n-(4-chlorobenzoyl)glycine;n-(p-chlorobenzoyl)glycine;p-chlorobenzoylglycine;p-chloro-hippuricaci
• CAS NO: 13450-77-6
• Molecular Formula: C₉H₈ClNO₃
• Molecular Weight: 213.62
• Mol File: 13450-77-6.mol
• Article Data: 24

Chemical Properties

• Melting Point: 144-146°
• Boiling Point: 457.2 °C at 760 mmHg
• Flash Point: 230.3 °C
• Appearance: /
• Density: 1.397g/cm³
• Vapor Pressure: 3.74E-09mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Dichloromethane (Slightly, Heated), Methanol (Slightly)
• PKA: 3.43±0.10(Predicted)
• CAS DataBase Reference: (4-CHLORO-BENZOYLAMINO)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-CHLORO-BENZOYLAMINO)-ACETIC ACID(13450-77-6)
• EPA Substance Registry System: (4-CHLORO-BENZOYLAMINO)-ACETIC ACID(13450-77-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 13450-77-6(Hazardous Substances Data)

Usage

Description

(4-CHLORO-BENZOYLAMINO)-ACETIC ACID is an organic compound with the molecular structure featuring a chloro-benzoyl group and an amino group attached to an acetic acid backbone. It is a derivative of acetic acid with potential applications in various industries due to its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
(4-CHLORO-BENZOYLAMINO)-ACETIC ACID is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, particularly those targeting specific biological pathways or receptors.
Used in Chemical Research:
In the field of chemical research, (4-CHLORO-BENZOYLAMINO)-ACETIC ACID serves as a valuable compound for studying the effects of structural modifications on the properties and reactivity of molecules. It can be used to explore new reaction mechanisms and develop novel synthetic methods.
Used in Analytical Chemistry:
(4-CHLORO-BENZOYLAMINO)-ACETIC ACID can be employed as a reference material or standard in analytical chemistry for the calibration of instruments and the development of new analytical techniques. Its distinct chemical properties make it suitable for various analytical applications.
Used in Material Science:
The compound may also find applications in material science, where it could be used to develop new materials with specific properties, such as improved stability or reactivity. Its unique structure could contribute to the creation of advanced materials for various industrial applications.

InChI:InChI=1/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)/p-1

Upstream product

• 122-01-0 4-chloro-benzoyl chloride 
• 56-40-6 glycine 
• 59893-99-1 N-(p-chlorobenzoyl)-glycine methyl ester 
• 74-11-3 para-chlorobenzoic acid 
• 6000-43-7 2-aminoethanoic acid hydrochloride 
• 39735-52-9 N-(4-chloro)benzoyl glycine methyl ester 
• 22887-53-2 2-(4-Chlorphenyl)-4,5-dihydro-1,3-oxazol-5-on 

Downstream Products

• 4211-99-8 2-(4-chloro-phenyl)-4-thiophen-2-ylmethylene-4H-oxazol-5-one 
• 22269-64-3 2-(4-chloro-phenyl)-4-(4-dimethylamino-2-methyl-benzylidene)-4H-oxazol-5-one 
• 22887-53-2 2-(4-Chlorphenyl)-4,5-dihydro-1,3-oxazol-5-on 
• 34108-14-0 4-Benzylidene-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazole 
• 20063-41-6 3,3'-{4-[2-(4-chloro-phenyl)-5-oxo-oxazol-4-ylidenemethyl]-3-methyl-phenylazanediyl}-bis-propionitrile 
• 59893-99-1 N-(p-chlorobenzoyl)-glycine methyl ester 
• 75152-15-7 (4-Chloro-benzoylamino)-acetic acid 4-nitro-phenyl ester 
• 102674-43-1 methyl 4-chlorobenzoylglycyl-2-methylalaninate 
• 90448-14-9 2-(4-Chlorophenyl)-4-(4-difluoromethylsulfonylbenzylidene)oxazol-5-one 
• 94670-39-0 4-chloro-N-formylbenzamide 
• 103369-09-1 N-(acetoxymethyl)-4-chloro-benzamide 
• 56-40-6 glycine 
• 74-11-3 para-chlorobenzoic acid 
• 68661-24-5 1-(p-Chlorbenzoyl)-4-hydroxy-3-pyrrolin-2-on 

Relevant articles and documents

Physiologic disposition and metabolic fate of indomethacin analogs. II. 1-(p-chlorobenzoyl)-5-dimethylamino-2-methylindole-3-acetic acid.

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4-Sulfamoylphenylalkylamides as Inhibitors of Carbonic Anhydrases Expressed in Vibrio cholerae

A current issue of antimicrobial therapy is the resistance to treatment with worldwide consequences. Thus, the identification of innovative targets is an intriguing challenge in the drug and development process aimed at newer antimicrobial agents. The state-of-art of anticholera therapy might comprise the reduction of the expression of cholera toxin, which could be reached through the inhibition of carbonic anhydrases expressed in Vibrio cholerae (VchCAα, VchCAβ, and VchCAγ). Therefore, we focused our interest on the exploitation of sulfonamides as VchCA inhibitors. We planned to design and synthesize new benzenesulfonamides based on our knowledge of the VchCA catalytic site. The synthesized compounds were tested thus collecting useful SAR information. From our investigation, we identified new potent VchCA inhibitors, some of them displayed high affinity toward VchCAγ class, for which few inhibitors are currently reported in literature. The best interesting VchCAγ inhibitor (S)-N-(1-oxo-1-((4-sulfamoylbenzyl)amino)propan-2-yl)furan-2-carboxamide (40) resulted more active and selective inhibitor when compared with acetazolamide (AAZ) as well as previously reported VchCA inhibitors.

Design, synthesis, and molecular docking of novel indole scaffold-based VEGFR-2 inhibitors as targeted anticancer agents

A series of new indole derivatives 1–18 was synthesized and tested for their cytotoxic activity on a panel of 60 tumor cell lines. Additionally, molecular docking was carried out to study their binding pattern and binding affinity in the VEGFR-2 active site using sorafenib as a reference VEGFR-2 inhibitor. Based on the molecular docking results, compounds 5a, 5b, 6, 7, 14b, 18b, and 18c were selected to be evaluated for their VEGFR-2 inhibitory activity. Compound 18b exhibited a broad-spectrum antiproliferative activity on 47 cell lines, with GI % ranging from 31 to 82.5%. Moreover, compound 18b was the most potent VEGFR-2 inhibitor with an IC50 value of 0.07 μM, which is more potent than that of sorafenib (0.09 μM). A molecular docking study attributed the promising activity of this series to their hydrophobic interaction with the VEGFR-2 binding site hydrophobic side chains and their hydrogen bonding interaction with the key amino acids Glu885 and/or Asp1046.