Description

(1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-15N,D15 is a highly specialized, isotopically labeled spin-labeling reagent essential for advanced structural biology research. Its core value lies in enabling precise, site-directed spin labeling (SDSL) for Electron Paramagnetic Resonance (EPR) spectroscopy, providing critical insights into protein dynamics and conformational changes. This compound is primarily needed by research scientists and pharmaceutical developers in biophysics, structural biology, and drug discovery programs where understanding macromolecular structure and function is paramount.

Application

• Site-Directed Spin Labeling (SDSL) for EPR/DEER Spectroscopy: Used to covalently attach a stable nitroxide radical to specific cysteine residues in proteins or nucleic acids to measure distances and monitor conformational dynamics.
• Membrane Protein Studies: Critical for investigating the structure, folding, and interactions of integral membrane proteins within lipid bilayers.
• Protein-Protein & Protein-Ligand Interaction Analysis: Employed to map binding interfaces and characterize the structural changes induced by molecular interactions.
• Structural Dynamics and Folding Studies: Enables the real-time observation of protein folding pathways, unfolding transitions, and conformational equilibria.
• Validation of Computational Models: Provides experimental distance restraints to validate and refine molecular dynamics simulations and computational structural models.
• Development of Biosensors: Serves as a key component in the design of EPR-based molecular sensors for detecting environmental changes or specific analytes.

Basic Information

Product Name	(1-Oxyl-2,2,5,5-Tetramethyl-3-Pyrroline-3-Methyl) Methanethiosulfonate-15N,D15
CAS No.	384342-58-9
Molecular Formula	C11H14D1515N O3S2 *
Molecular Weight	~307.5 g/mol (for labeled form)
Synonyms	MTSL-15N,D15
(1-Oxyl-2,2,5,5-tetramethyl-δ3-pyrroline-3-methyl) Methanethiosulfonate-15N,D15
S-(1-Oxyl-2,2,5,5-tetramethyl-3-pyrrolin-3-ylmethyl) Methanesulfonothioate-15N,D15
15N,D15-MTSL
Deuterated and 15N-labeled MTS Spin Label
Perdeuterated 15N-MTSL
Nitroxide Spin Label, Isotopically Labeled
EINECS	Contact for details

* Formula and weight are representative for the isotopically labeled form. Exact values depend on the specific isotopic enrichment levels.

Quality Control

Every batch of our isotopically labeled spin labels is produced and analyzed to meet the exacting standards required for sensitive biophysical research. Rigorous quality testing includes verification of isotopic enrichment (by NMR/MS), radical purity, and functional integrity. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing assay (by EPR or HPLC), isotopic purity, and solvent content to ensure reproducibility in your experiments.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below under an inert atmosphere (argon or nitrogen) to minimize degradation. This compound is both light-sensitive (store away from light) and easily oxidized (store under inert atmosphere). Allow the sealed vial to equilibrate to room temperature before opening to prevent moisture condensation, as it is also hygroscopic (moisture-sensitive). For long-term stability, store desiccated.

Specification

Item	Specification
Appearance	Orange to red solid or oil
Identification (IR)	Conforms to structure
Identification (EPR)	Characteristic nitroxide radical signal
Assay (HPLC/EPR)	≥ 95%
Isotopic Enrichment (15N)	≥ 98 atom %
Isotopic Enrichment (D)	≥ 98 atom % D
Solvent Content (Residual)	≤ 2.0% (by 1H NMR)

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