Description

(S)-2-((S)-1-(4-Bromophenyl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanoic acid is a high-purity, non-natural amino acid derivative featuring a chiral trifluoroethylamine backbone and a bromophenyl group, making it a valuable building block for advanced pharmaceutical research. Its precise stereochemistry and unique fluorine/bromine substitution pattern are critical for modulating the biological activity, metabolic stability, and binding affinity of target molecules. This compound is primarily utilized by medicinal chemists and process development scientists in the pharmaceutical and biotechnology industries for the synthesis of novel therapeutic agents, particularly in oncology and central nervous system (CNS) drug discovery.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of new active pharmaceutical ingredients (APIs), especially for targeted therapies.
• Protease Inhibitor Synthesis: Used in constructing peptide mimetics and inhibitors for enzymes like proteases, where its fluorinated and brominated groups enhance potency and selectivity.
• Medicinal Chemistry & SAR Studies: Serves as a critical scaffold for structure-activity relationship (SAR) studies to optimize drug candidate properties such as bioavailability and receptor binding.
• Peptidomimetic Development: Incorporated into peptidomimetic compounds to improve metabolic stability and membrane permeability compared to natural peptides.
• Labeled Compound Precursor: Potential precursor for the synthesis of isotopically labeled compounds (e.g., with C-13, F-18) used in pharmacokinetic and imaging studies.
• Chemical Biology Probes: Utilized in the design of chemical probes to study enzyme function and biological pathways in drug discovery.

Basic Information

Product Name	(S)-2-((S)-1-(4-Bromophenyl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanoic Acid
CAS No.	847358-98-9
Molecular Formula	C14H16BrF4NO2
Molecular Weight	386.18 g/mol
Synonyms	4-Fluoro-4-methyl-2-[[(1S)-1-[4-bromophenyl]-2,2,2-trifluoroethyl]amino]pentanoic acid; (2S)-2-[[(1S)-1-(4-Bromophenyl)-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanoic acid; (S)-2-((S)-1-(4-Bromophenyl)-2,2,2-Trifluoroethylamino)-4-Fluoro-4-Methylpentanoic Acid; 847358-98-9; Pentanoic acid, 2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methyl-, (2S)-; BRN 8281136
EINECS	Contact for details

Quality Control

Our production of (S)-2-((S)-1-(4-Bromophenyl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanoic acid adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for research applications. All material is characterized by advanced analytical techniques including HPLC, NMR, and MS to confirm identity, chiral purity, and chemical composition. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to support your regulatory and R&D documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed in a desiccated environment and away from direct light exposure to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.