185994-15-4

Basic information

• Product Name: (S)-AMINO-(4-FLUORO-PHENYL)-ACETIC ACID HYDROCHLORIDE
• Synonyms: L-P-FLUOROPHENYLGLYCINE HCL;L-4-Fluorophenylglycine hydrochloride;2-((4-FLUOROPHENYL)AMINO)ACETIC ACID HYDROCHLORIDE
• CAS NO: 185994-15-4
• Molecular Formula: C₈H₈FNO₂*ClH
• Molecular Weight: 205.615
• Mol File: 185994-15-4.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (S)-AMINO-(4-FLUORO-PHENYL)-ACETIC ACID HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-AMINO-(4-FLUORO-PHENYL)-ACETIC ACID HYDROCHLORIDE(185994-15-4)
• EPA Substance Registry System: (S)-AMINO-(4-FLUORO-PHENYL)-ACETIC ACID HYDROCHLORIDE(185994-15-4)

Safety Data

• Hazardous Substances Data: 185994-15-4(Hazardous Substances Data)

Usage

General Description

(S)-AMINO-(4-FLUORO-PHENYL)-ACETIC ACID HYDROCHLORIDE is a chemical compound that contains an amino group and a 4-fluoro-phenyl-acetic acid moiety. It is a hydrochloride salt, meaning that it is formed through the reaction of the compound with hydrochloric acid. This chemical may have a variety of potential uses in different fields, such as pharmaceuticals, organic synthesis, and research. The specific properties and potential applications of this compound would depend on its exact chemical and physical characteristics, and would likely be further investigated through experimentation and testing.

Upstream product

• 1313219-23-6 (S,S)-α-(4-fluorophenyl)-α-[1-(4-methoxyphenyl)ethylamino]acetonitrile hydrochloride 
• 459-57-4 4-fluorobenzaldehyde 

Downstream Products

• 916602-09-0 (S)-methyl 2-amino-2-(4-fluorophenyl)acetate hydrochloride 
• 1587732-42-0 (S)-2-amino-2-(4-fluorophenyl)acetohydrazide 

Relevant articles and documents

Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry

Structure-based design (SBD) can be used for the design and/or optimization of new inhibitors for a biological target. Whereas de novo SBD is rarely used, most reports on SBD are dealing with the optimization of an initial hit. Dynamic combinatorial chemistry (DCC) has emerged as a powerful strategy to identify bioactive ligands given that it enables the target to direct the synthesis of its strongest binder. We have designed a library of potential inhibitors (acylhydrazones) generated from five aldehydes and five hydrazides and used DCC to identify the best binder(s). After addition of the aspartic protease endothiapepsin, we characterized the protein-bound library member(s) by saturation-transfer difference NMR spectroscopy. Cocrystallization experiments validated the predicted binding mode of the two most potent inhibitors, thus demonstrating that the combination of de novo SBD and DCC constitutes an efficient starting point for hit identification and optimization. The dynamic duo: The combination of de novo structure-based design and dynamic combinatorial chemistry has been applied to the identification of novel acylhydrazone-based inhibitors for the aspartic protease endothiapepsin. 1H-STD-NMR spectroscopy has been used to identify the binders from the dynamic combinatorial libraries. Proposed binding modes of the most potent inhibitors have been confirmed by X-ray crystallography.