Description

Methanesulfonothioic Acid S-[(1-Acetyl-2,5-Dihydro-2,2,5,5-Tetramethyl-1H-(Pyrrol-15N)-3-Yl)Methyl] Ester is a specialized isotopically labeled chemical building block, distinguished by the incorporation of a nitrogen-15 (15N) atom. This compound is critical for advanced research and development, particularly in the fields of medicinal chemistry and analytical science, where precise molecular tracking and structural elucidation are paramount. It serves as a key intermediate for pharmaceutical innovators, agrochemical developers, and academic research institutions requiring high-purity, isotopically enriched materials for synthesis, metabolic studies, and NMR spectroscopy.

Application

• Pharmaceutical Intermediate: A crucial building block for the synthesis of isotopically labeled drug candidates and active pharmaceutical ingredients (APIs) in medicinal chemistry research.
• Metabolic Pathway Tracer: Used in pharmacokinetic and metabolic studies to track the absorption, distribution, metabolism, and excretion (ADME) of novel compounds.
• NMR Spectroscopy Standard: Serves as an internal standard or reference compound in Nuclear Magnetic Resonance (NMR) analysis due to its 15N label, aiding in structural confirmation and quantitative analysis.
• Agrochemical Research: Employed in the development and study of novel, isotopically labeled pesticides or herbicides to understand environmental fate and degradation pathways.
• Proteomics & Biochemistry: Potential use in the synthesis of labeled probes or tags for studying protein interactions, enzyme mechanisms, and other biochemical processes.
• Isotope Dilution Mass Spectrometry (IDMS): Acts as a high-purity standard for accurate quantification in mass spectrometry-based analytical methods.

Basic Information

Item	Detail
Product Name	Methanesulfonothioic Acid S-[(1-Acetyl-2,5-Dihydro-2,2,5,5-Tetramethyl-1H-(Pyrrol-15N)-3-Yl)Methyl] Ester
CAS No.	1287068-01-2
Molecular Formula	C13H21NO3S2 (15N)
Molecular Weight	303.44 g/mol (for 15N isotopologue)
Synonyms	1-Acetyl-2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-ylmethyl methanethiosulfonate (15N); MTSEA-acetyl-15N; (1-Acetyl-2,5-dihydro-2,2,5,5-tetramethyl-15N-1H-pyrrol-3-yl)methyl methanesulfonothioate; 15N-Labeled Methanethiosulfonate derivative; Isotopically labeled MTS reagent; S-[(1-Acetyl-2,5-dihydro-2,2,5,5-tetramethyl-1H-(pyrrol-15N)-3-yl)methyl] methanethiosulfonate
EINECS	Contact for details

Quality Control

Our Methanesulfonothioic Acid S-[(1-Acetyl-2,5-Dihydro-2,2,5,5-Tetramethyl-1H-(Pyrrol-15N)-3-Yl)Methyl] Ester is manufactured under strict quality systems to ensure the highest standards of purity and isotopic enrichment. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing key parameters such as chemical purity (by HPLC), isotopic enrichment (by MS or NMR), and identity confirmation. We adhere to cGMP principles where applicable to support our clients in regulated research and development environments.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). For long-term storage, consider storing under an inert atmosphere at lower temperatures (e.g., -20°C) to maximize stability. Keep the container tightly sealed in a dry environment to prevent moisture absorption.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure (1H, 13C)
Purity (HPLC)	≥ 95%
Isotopic Enrichment (15N)	≥ 98 atom %
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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