57503-02-3

Basic information

• Product Name: 2-CHLORO-N-(2-ETHYL-PHENYL)-ACETAMIDE
• Synonyms: ART-CHEM-BB B015636;CHEMBRDG-BB 3015636;2-CHLORO-N-(2-ETHYL-PHENYL)-ACETAMIDE;AKOS B015636;AKOS BBS-00004008;2-chloro-N-(2-ethylphenyl)acetamide(SALTDATA: FREE);2-chloro-N-(2-ethylphenyl)ethanamide;NSC618534
• CAS NO: 57503-02-3
• Molecular Formula: C₁₀H₁₂ClNO
• Molecular Weight: 197.66
• Mol File: 57503-02-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 353.5°Cat760mmHg
• Flash Point: 167.6°C
• Appearance: /
• Density: 1.185g/cm³
• Vapor Pressure: 3.56E-05mmHg at 25°C
• Refractive Index: 1.572
• CAS DataBase Reference: 2-CHLORO-N-(2-ETHYL-PHENYL)-ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-N-(2-ETHYL-PHENYL)-ACETAMIDE(57503-02-3)
• EPA Substance Registry System: 2-CHLORO-N-(2-ETHYL-PHENYL)-ACETAMIDE(57503-02-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 57503-02-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H12ClNO/c1-2-8-5-3-4-6-9(8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)

Upstream product

• 578-54-1 ortho-ethylaniline 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 100316-70-9 N,N-dimethyl-glycine-(2-ethyl-anilide) 
• 131081-28-2 N,N-diethyl-glycine-(2-ethyl-anilide) 
• 1263764-74-4 C₁₃H₁₅N₃O 
• 1223232-39-0 C₁₂H₁₄N₄O 
• 1369321-44-7 2-(5,7-dimethyl-2-oxothiazolo[4,5-b]pyridin-3-yl)-N-(2-ethylphenyl)acetamide 
• 1447585-73-0 N-(4-bromophenyl)-2-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-({2-[(2-ethylphenyl)amino]-2-oxoethyl}thio)pyrimidine-5-carboxamide 

Relevant articles and documents

Carbamylmethyl Mercaptoacetate Thioether: A Novel Scaffold for the Development of L1 Metallo-β-lactamase Inhibitors

Given the clinical importance of metallo-β-lactamases (MβLs), a new scaffold, N-substituted carbamylmethyl mercaptoacetate thioether, was constructed. The obtained molecules 1-16 inhibited MβLs from all three subclasses, but preferentially L1 from subclass B3. Compound 9 with a p-carboxyphenyl substituent exhibited the broadest spectrum with at least 70% inhibition of enzymes from all subclasses at 100 μM, while compound 5 with a p-methylphenyl substituent was the most potent inhibitor of any individual enzyme, with 97% inhibition at 100 μM and an IC50 value of 0.41 μM against L1. Isothermal titration calorimetry assays corroborate findings from UV-vis spectrophotometric assays that the inhibition of L1 by 5 is dose-dependent. Docking studies suggest that the carboxyl group, the sulfide atom, and the carbonyl group of the carbamyl coordinate Zn2 in a chelating fashion. Using E. coli cells expressing L1, 6 and 8 were able to decrease cefazolin minimum inhibitory concentration 8-fold.