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DL-4-Bromo-2-fluoropenylalanine is a chemical compound derived from the amino acid phenylalanine, with bromine and fluorine atoms attached to its benzene ring. It is a valuable building block in the synthesis of drug candidates and peptidomimetics, and has been studied for its potential therapeutic properties.

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  • 439587-17-4 Structure
  • Basic information

    1. Product Name: DL-4-Bromo-2-fluoropenylalanine
    2. Synonyms: DL-4-Bromo-2-fluoropenylalanine;4-BroMo-2-fluoro-DL-phenylalanine;4-Bromo-2-fluorophenyl-DL-alanine
    3. CAS NO:439587-17-4
    4. Molecular Formula: C9H9BrFNO2
    5. Molecular Weight: 262.077
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 439587-17-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 363.5±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.660±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 2.18±0.15(Predicted)
    10. CAS DataBase Reference: DL-4-Bromo-2-fluoropenylalanine(CAS DataBase Reference)
    11. NIST Chemistry Reference: DL-4-Bromo-2-fluoropenylalanine(439587-17-4)
    12. EPA Substance Registry System: DL-4-Bromo-2-fluoropenylalanine(439587-17-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 439587-17-4(Hazardous Substances Data)

439587-17-4 Usage

Uses

Used in Pharmaceutical Research and Development:
DL-4-Bromo-2-fluoropenylalanine is used as a building block for the synthesis of various drug candidates and peptidomimetics, contributing to the development of new and more effective treatments.
Used in Enzyme and Receptor Inhibition:
DL-4-Bromo-2-fluoropenylalanine is used as an inhibitor of certain enzymes and receptors involved in various diseases, demonstrating its potential therapeutic properties.
Used in Understanding Molecular Interactions:
DL-4-Bromo-2-fluoropenylalanine is used as a valuable tool for understanding the interactions between small molecules and biological targets, aiding in the advancement of pharmaceutical research.

Check Digit Verification of cas no

The CAS Registry Mumber 439587-17-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,3,9,5,8 and 7 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 439587-17:
(8*4)+(7*3)+(6*9)+(5*5)+(4*8)+(3*7)+(2*1)+(1*7)=194
194 % 10 = 4
So 439587-17-4 is a valid CAS Registry Number.

439587-17-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromo-2-fluorophenylalanine

1.2 Other means of identification

Product number -
Other names 4-Bromo-2-fluoro-DL-phenylalanine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:439587-17-4 SDS

439587-17-4Downstream Products

439587-17-4Relevant articles and documents

NOVEL SUBSTITUTED SPIROCYCLES

-

, (2016/04/09)

This invention relates to a compound of formula I wherein A and Cy have one of the meanings as indicated in the specification and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same and methods of using the same as agen

SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C

-

, (2014/09/29)

This invention relates to 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid(benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. respiratory diseases.

SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C

-

, (2014/09/29)

This invention relates to 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)- amides of formula (1) and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. respiratory diseases.

SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C

-

, (2014/09/29)

This invention relates to bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and their use in methods of treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. respiratory diseases.

SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C

-

, (2014/09/30)

This invention relates to 2-Aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. respiratory diseases.

SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C

-

, (2014/09/29)

This invention relates to 2-Aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. asthma and allergic diseases, gastrointestinal inflammatory diseases, eosinophilic diseases, chronic obstructive pulmonary disease, infection by pathogenic microbes, rheumatoid arthritis or atherosclerosis.

SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C

-

, (2014/09/30)

This invention relates to bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. respiratory diseases.

An improved "one-pot" procedure for synthesis of fluorinated DL-phenylalanines

Samet, Alexander V.,Coughlin, Daniel J.,Buchanan III,Gakh, Andrei A.

, p. 941 - 946 (2007/10/03)

DL-arylalanines were synthesized from corresponding aromatic aldehydes by an efficient "one-pot" procedure involving Erlenmeyer reaction and subsequent reduction of the resulting oxazolones (without prior isolation) using P/HI.

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