Description

(S)-2-(2-((3-Hexyl-4-Methyl-2-Oxo-2H-Chromen-7-Yl)Oxy)Acetamido)-4-(Methylthio)Butanoic Acid is a high-purity, synthetically derived chiral compound featuring a coumarin core linked to a modified amino acid moiety. This specific molecular architecture makes it a valuable advanced pharmaceutical intermediate and a critical building block for research into novel bioactive molecules. It is primarily utilized by pharmaceutical R&D and fine chemical synthesis teams focused on developing new therapeutic agents, particularly in areas requiring precise stereochemical control.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the multi-step synthesis of potential drug candidates, especially those targeting enzyme inhibition or receptor modulation.
• Protease Inhibitor Research: The structure suggests potential application as a scaffold or precursor in the development of cysteine protease or other enzyme inhibitors.
• Medicinal Chemistry & SAR Studies: Used as a core structure for Structure-Activity Relationship (SAR) studies to optimize pharmacokinetic and pharmacodynamic properties of lead compounds.
• Bioconjugation & Probe Development: The reactive carboxylic acid and acetamido groups allow for conjugation, making it suitable for creating fluorescent probes or targeted bioconjugates due to the inherent coumarin fluorophore.
• Chemical Biology Tool: Employed in research to study biological pathways and protein functions where a tailored, light-sensitive, or activity-based probe is required.
• High-Value Fine Chemical Synthesis: Integral in the custom synthesis of complex, high-value molecules for agrochemical and material science research applications.

Basic Information

Item	Details
Product Name	(S)-2-(2-((3-Hexyl-4-Methyl-2-Oxo-2H-Chromen-7-Yl)Oxy)Acetamido)-4-(Methylthio)Butanoic Acid
CAS No.	956944-02-8
Molecular Formula	C23H31NO6S
Molecular Weight	449.56 g/mol
Synonyms	(S)-2-[[2-[(3-Hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl]amino]-4-(methylthio)butanoic acid; 7-[[2-[[(2S)-2-Carboxy-3-(methylthio)propyl]amino]-2-oxoethoxy]methyl]-3-hexyl-4-methyl-2H-chromen-2-one; 4-Methylthio-2-[(2-((3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)]butyric Acid (S-isomer); S-2-(2-(3-Hexyl-4-methyl-2-oxochromen-7-yloxy)acetamido)-4-methylthiobutanoic acid; Coumarin-derived amino acid derivative; Contact for details on additional trade names.
EINECS	Contact for details

Quality Control

Our production of (S)-2-(2-((3-Hexyl-4-Methyl-2-Oxo-2H-Chromen-7-Yl)Oxy)Acetamido)-4-(Methylthio)Butanoic Acid adheres to stringent cGMP and ISO 9001 quality management standards. Every batch undergoes comprehensive analytical testing, including HPLC for purity and chiral integrity, NMR and MS for structural confirmation, and rigorous control of residual solvents and impurities. A detailed Certificate of Analysis (COA) documenting all specifications is provided with each shipment to ensure full traceability and compliance for your regulatory 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 should be handled under anhydrous conditions when opening to prevent degradation. For long-term storage, consider desiccants or an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Heavy Metals	≤ 10 ppm

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