2361-96-8

Basic information

• Product Name: AC-PHE-OET
• Synonyms: ACETYL-L-PHENYLALANINE ETHYL ESTER;AC-PHE-OET;AC-PHENYLALANINE-OET;N-ACETYL-L-PHE ETHYL ESTER;N-ACETYL-L-PHENYLALANINE ETHYL ESTER;N-ALPHA-ACETYL-L-PHENYLALANINE ETHYL ESTER;ethyl N-acetyl-3-phenyl-L-alaninate;N-acetyl-L-phenylalanine ethyl ester*sigma grade
• CAS NO: 2361-96-8
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.28
• EINECS: 219-108-6
• Product Categories: Amino Acids;A - H;Amino Acids;Modified Amino Acids
• Mol File: 2361-96-8.mol

Chemical Properties

• Melting Point: 66-67 °C
• Boiling Point: 377.67°C (rough estimate)
• Flash Point: 197 °C
• Appearance: /
• Density: 1.1200 (rough estimate)
• Vapor Pressure: 1.12E-06mmHg at 25°C
• Refractive Index: 1.4800 (estimate)
• Storage Temp.: 2-8°C
• Solubility: DMSO, Methanol
• PKA: 14.83±0.46(Predicted)
• Water Solubility: 4.13g/L(28 oC)
• CAS DataBase Reference: AC-PHE-OET(CAS DataBase Reference)
• NIST Chemistry Reference: AC-PHE-OET(2361-96-8)
• EPA Substance Registry System: AC-PHE-OET(2361-96-8)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 2361-96-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Applications:
AC-PHE-OET is used as a pharmaceutical agent for treating patients with depression. Its role in modulating the levels of certain neurotransmitters in the brain makes it a potential candidate for antidepressant therapies.
Used in Enzyme Inhibition:
AC-PHE-OET is used as an inhibitor for pepsin-catalyzed reactions. This application is particularly relevant in the field of biochemistry and molecular biology, where controlling enzyme activity is crucial for understanding various biological processes and developing targeted therapies.
Used in Chemical Synthesis:
As a derivative of L-Phenylalanine, AC-PHE-OET can be used as a building block in the synthesis of various chemical compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure and properties make it a valuable intermediate in the development of novel molecules with specific applications.
Used in Research and Development:
AC-PHE-OET can be employed in research and development settings to study the structure-activity relationships of L-Phenylalanine derivatives and their potential applications in various fields. This can lead to the discovery of new therapeutic agents, improved drug delivery systems, and innovative chemical processes.

Purification Methods

Crystallise the ester from aqueous EtOH or H2O. [Izumiya & Fruton J Biol Chem 218 59 1956.]

InChI:InChI=1/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)

Upstream product

• 2018-61-3 (S)-2-acetylamino-3-phenylpropanoic acid 
• 64-17-5 ethanol 
• 55065-02-6 2-(N-acetylamino)cinnamic acid 
• 62436-67-3 ethyl (Z)-2-acetylamino-3-phenyl-2-propenoate 
• 75-03-6 ethyl iodide 
• 55713-71-8 ethyl N-(3-hydroxydodecanoyl)phenylalaninate 
• 108395-58-0 acetyl L-phenylalanine chloroethyl ester 
• 21156-62-7 N-acetylphenylalanine methyl ester 
• 3618-96-0 (S)-N-acetylphenylalanine 
• 3081-24-1 H-Phe-OEt 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 743477-27-2 2-hydroxy-1,1,2-trimethylpropyl ethylcarbamate 
• 108-22-5 Isopropenyl acetate 

Downstream Products

• 18934-57-1 N-acetyl-L-phenylalaninehydrazide 
• 3618-96-0 (S)-N-acetylphenylalanine 
• 118149-43-2 N-acetyl-(S)-phenylalanine propyl ester 
• 2018-61-3 (S)-2-acetylamino-3-phenylpropanoic acid 
• 29701-44-8 N-acetyl-L-phenylalanyl-L-alaninamide 
• 65118-58-3 N-Ac-L-Phe-L-Leu-NH₂ 
• 24809-25-4 Ac-L-Phe-L-Phe-NH₂ 
• 140860-36-2 Phe-Lys(Ac-Phe)-O-tert-Bu 
• 121773-10-2 (S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-6-amino-hexanoic acid tert-butyl ester 
• 121773-11-3 N^ε-(N-Acetyl-L-phenylalanyl)-L-lysine tert-butyl ester 
• 140924-73-8 N-Acetyl-L-phenylalanyl-L-lysine tert-butyl ester 
• 840-97-1 N-acetyl-L-tyrosine ethyl ester 
• 88406-46-6 N-[(S)-1-(4-Methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-2-phenyl-ethyl]-acetamide 
• 130887-73-9 L-N-acetyl-3-(4-(chloromethyl)phenyl)alanine ethyl ester 

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