Description

3-Methyl-5-Oxo-4-(1,1,2,2,2-Pentadeuterioethyl)-n-(2-Phenylethyl)-2H-Pyrrole-1-Carboxamide is a deuterated pyrrole derivative, a high-value specialty chemical designed for advanced research and development. This compound matters as a critical building block and analytical standard in pharmaceutical and agrochemical discovery, where its deuterium-labeled structure provides unique metabolic stability and tracing capabilities. It is primarily needed by medicinal chemists and process development scientists in the pharmaceutical, biotechnology, and agrochemical industries for applications in drug metabolism and pharmacokinetics (DMPK) studies, bioanalytical method development, and the synthesis of novel active ingredients.

Application

• Pharmaceutical Research & Development: As a deuterium-labeled internal standard for the precise quantification of parent compounds and metabolites in bioanalytical assays (LC-MS/MS).
• Drug Metabolism Studies (DMPK): To investigate metabolic pathways, stability, and pharmacokinetic profiles of novel drug candidates.
• Isotope Effect Studies: In mechanistic chemistry to study kinetic isotope effects (KIE) and understand reaction pathways.
• Process Chemistry: As a labeled intermediate in the synthesis of deuterated active pharmaceutical ingredients (APIs) for improved drug properties.
• Agrochemical Discovery: As a tracer molecule in environmental fate studies and metabolic profiling of new agrochemicals.
• Academic Research: In chemical biology and medicinal chemistry programs focused on heterocyclic compound synthesis and isotope labeling.

Basic Information

Product Name	3-Methyl-5-Oxo-4-(1,1,2,2,2-Pentadeuterioethyl)-n-(2-Phenylethyl)-2H-Pyrrole-1-Carboxamide
CAS No.	1189972-14-2
Molecular Formula	C19H20D5N2O2
Molecular Weight	316.44 g/mol (for C19H20D5N2O2)
Synonyms	4-(1,1,2,2,2-Pentadeuterioethyl)-3-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-1-carboxamide; 3-Methyl-5-oxo-4-(pentadeuterioethyl)-N-phenethyl-1H-pyrrole-1-carboxamide; Deuterated Pyrrole Carboxamide; [D5]-Ethyl Pyrrole Derivative; CAS 1189972-14-2; 1H-Pyrrole-1-carboxamide, 4-(1,1,2,2,2-pentadeuterioethyl)-3-methyl-5-oxo-N-(2-phenylethyl)-; N-Phenethyl-3-methyl-5-oxo-4-((1,1,2,2,2-D5)ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. For this high-purity deuterated compound, quality is assured through advanced analytical techniques including NMR (¹H, ¹³C, ²H) for isotopic purity and structural confirmation, HPLC for chemical purity, and mass spectrometry (LC-MS) for identity verification. Certificates of Analysis (COA) detailing batch-specific results for assay, isotopic enrichment, and impurity profiles are available upon request. We adhere to cGMP principles for the manufacture of research-grade chemicals.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry place. Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from incompatible materials.

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 (²H NMR / 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.