Description

3-(4-Methyl-1H-Imidazol-1-Yl)-5-Trifluoromethylaniline-D3 is a deuterated aromatic amine derivative, serving as a critical stable isotope-labeled building block for advanced research and development. Its core value lies in enabling precise metabolic and pharmacokinetic studies through deuterium substitution, which enhances molecular stability without significantly altering biological activity. This compound is essential for pharmaceutical chemists and researchers in drug discovery and development, particularly for creating labeled internal standards, probes, and potential active pharmaceutical ingredients (APIs).

Application

• Deuterated Internal Standard for LC-MS/MS: Used as a quantitative reference standard in bioanalytical method development for accurate measurement of drug metabolites.
• Pharmaceutical Intermediate: Serves as a key synthon in the synthesis of deuterated drug candidates, leveraging the deuterium kinetic isotope effect (DKIE) to potentially improve metabolic stability.
• Metabolic Pathway Tracing: Employed in in vitro and in vivo studies to track the distribution and biotransformation of lead compounds containing the trifluoromethylaniline pharmacophore.
• Biochemical Probe Development: Utilized to create labeled probes for investigating enzyme mechanisms or receptor-ligand interactions where the imidazole moiety is critical.
• Preclinical Research: Integral to ADME (Absorption, Distribution, Metabolism, Excretion) studies for new chemical entities targeting various disease pathways.
• Agrochemical Research: Potential application in the development of labeled compounds for environmental fate and metabolism studies of agrochemicals.

Basic Information

Item	Details
Product Name	3-(4-Methyl-1H-Imidazol-1-Yl)-5-Trifluoromethylaniline-D3
CAS No.	1246815-34-8
Molecular Formula	C11H8D3F3N3
Molecular Weight	241.23 g/mol (for deuterated form)
Synonyms	5-Trifluoromethyl-3-(4-methyl-1H-imidazol-1-yl)aniline-d3; 3-(4-Methylimidazol-1-yl)-5-(trifluoromethyl)aniline-d3; [2H3]-3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline; Deuterated 3-(4-Methyl-1-imidazolyl)-5-trifluoromethylaniline; 1-[3-Amino-5-(trifluoromethyl)phenyl]-4-methyl-1H-imidazole-d3; Deuterated TFAI derivative; Stable Isotope Labeled Aniline-Imidazole Intermediate
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality control protocols to ensure isotopic purity, chemical purity, and batch-to-batch consistency essential for research integrity. Each batch is characterized by advanced analytical techniques including NMR (1H, 19F), Mass Spectrometry (LC-MS, HRMS), and HPLC. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (D-content), chemical purity, and identification data is provided with every shipment to support regulatory submissions and internal quality assurance.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). The compound is light-sensitive and should be handled under appropriate conditions to maintain 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
Purity (HPLC)	≥ 98.0%
Isotopic Purity (MS)	≥ 98 atom % D
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.