Description

N,n-Dimethyl-2-Mercapto-L-Histidine-D6 Methyl Ester is a deuterated derivative of a modified histidine amino acid, featuring a dimethylated amino group and a methyl-protected thiol. This compound is of significant value as a stable isotope-labeled internal standard in quantitative mass spectrometry, ensuring unparalleled accuracy in analytical measurements. It is primarily required by pharmaceutical research and development laboratories, contract research organizations (CROs), and advanced diagnostic manufacturers for applications in pharmacokinetic studies, metabolomics, and biomarker validation.

Application

• Internal Standard for LC-MS/MS: Critical for the precise quantification of related histidine metabolites or drug candidates in complex biological matrices like plasma, serum, and urine.
• Pharmaceutical R&D: Used in drug metabolism and pharmacokinetics (DMPK) studies to track the absorption, distribution, metabolism, and excretion (ADME) of novel therapeutic agents.
• Metabolomics Research: Enables accurate profiling and discovery of disease-specific biomarkers by serving as a reference compound in targeted metabolic pathway analysis.
• Clinical Diagnostics: Supports the development of high-precision diagnostic assays for inborn errors of metabolism or other conditions related to amino acid dysregulation.
• Isotope Dilution Mass Spectrometry (IDMS): The gold-standard method for achieving high metrological accuracy, where this deuterated standard is essential.
• Proteomics and Peptide Chemistry: May serve as a specialized building block or probe in the synthesis of isotopically labeled peptides for structural studies.

Basic Information

Product Name	N,n-Dimethyl-2-Mercapto-L-Histidine-D6 Methyl Ester
CAS No.	1795785-97-5
Molecular Formula	C9H9D6N3O2S
Molecular Weight	Contact for details
Synonyms	L-Histidine, N,N-dimethyl-2-mercapto-, methyl ester, d6; (2S)-2-Amino-3-(1H-imidazol-4-yl)-N,N-dimethyl-2-sulfanylpropanamide-d6 methyl ester; Deuterated Histidine Methyl Ester Derivative; Methyl N,N-Dimethyl-2-mercaptohistidinate-d6; 2-Mercaptohistidine-d6 Methyl Ester N,N-Dimethyl; Stable Isotope-Labeled Histidine Analog; Internal Standard for Histidine Metabolites
EINECS	Contact for details

Quality Control

Our deuterated standards are manufactured under strict quality control protocols to guarantee isotopic purity and chemical integrity. Each batch is characterized using advanced analytical techniques including NMR and high-resolution mass spectrometry to confirm deuteration level and identity. Certificates of Analysis (COA) are provided, detailing assay purity (typically ≥95% by HPLC), isotopic enrichment (≥98 atom % D), and specified impurity profiles. Production follows cGMP-aligned guidelines suitable for research and diagnostic use.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below in a freezer. Due to its highly volatile nature, allow the sealed vial to equilibrate to room temperature before opening to prevent moisture condensation. For long-term storage, keep desiccated under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 95%
Isotopic Purity	≥ 98 atom % D
Chemical Purity	≥ 90%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Complies with ICH limits

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