Description

n-[[(1,1-Dimethylethyl)Amino]Carbonyl]-3-Methyl-L-Valine-D9 Benzyl Ester is a high-purity, deuterated amino acid derivative designed for advanced research and development applications. This compound is critical for studies requiring isotopic labeling, such as metabolic pathway tracing and pharmacokinetic analysis, due to its incorporation of nine deuterium atoms. It is primarily utilized by pharmaceutical researchers, analytical chemists, and contract research organizations (CROs) engaged in drug discovery and development of novel therapeutic agents.

Application

• Isotopic Internal Standard for LC-MS/MS: Serves as a critical quantitative reference standard in bioanalytical method development for accurate mass spectrometry analysis.
• Metabolic Pathway Tracing: Used in preclinical and clinical research to track the absorption, distribution, metabolism, and excretion (ADME) of drug candidates.
• Pharmaceutical Intermediate: Acts as a specialized building block in the synthesis of deuterated active pharmaceutical ingredients (APIs) for improved metabolic stability.
• Proteomics and Biomarker Research: Employed in quantitative proteomics for the stable isotope labeling of peptides and proteins.
• Pharmacokinetic (PK) and Pharmacodynamic (PD) Studies: Essential for generating reliable data on drug concentration over time in biological matrices.
• Stable Isotope-Labeled Standard (SILS) Production: Used in the manufacture of certified reference materials (CRMs) for regulatory compliance and quality control.

Basic Information

Product Name	n-[[(1,1-Dimethylethyl)Amino]Carbonyl]-3-Methyl-L-Valine-D9 Benzyl Ester
CAS No.	1795786-80-9
Molecular Formula	C19H20D9NO3
Molecular Weight	~326.5 g/mol
Synonyms	Boc-3-Methyl-L-valine-d9 benzyl ester; (S)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(trideuteriomethyl)butanoic acid 2,2,3,3,4,4,5,5,5-nonadeuteriopentyl ester; tert-Butyl ((S)-1-(benzyloxy)-3-methyl-1-oxobutan-2-yl)carbamate-d9; Deuterated Boc-Val-OBzl; N-Boc-3-methyl-L-valine-d9 benzyl ester; L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-, benzyl ester, d9
EINECS	Contact for details

Quality Control

This deuterated compound is manufactured under strict quality control protocols to ensure isotopic purity and chemical integrity, essential for sensitive analytical applications. Each batch is characterized by advanced spectroscopic and chromatographic methods, including NMR, HPLC, and MS, to confirm deuterium incorporation and chemical purity. Certificates of Analysis (COA) detailing isotopic enrichment (typically >98 atom % D), chemical purity (by HPLC), and specific analytical data are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below in a freezer dedicated for chemicals. For long-term storage under an inert atmosphere, such as argon or nitrogen, is recommended to maintain stability. Allow the sealed container to reach room temperature before opening to prevent condensation and moisture ingress.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (Atom % D)	≥ 98%
Chemical Purity (by HPLC)	≥ 97.0%
Specific Rotation	Contact for details
Residual Solvents (GC)	Meets ICH guidelines

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