Description

5-Methylisoxazole-3-Carboxylic-D4 Acid is a deuterated isotopologue of a key heterocyclic carboxylic acid building block, where four hydrogen atoms are replaced with deuterium, offering enhanced metabolic stability and utility as an internal standard. This compound is critical for advanced research and development in pharmaceutical chemistry, particularly in drug discovery and development programs utilizing deuterium labeling strategies. It is primarily sought by research scientists and process chemists in the pharmaceutical, agrochemical, and analytical chemistry sectors for applications in mass spectrometry, metabolic studies, and the synthesis of novel deuterated active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Research & Development: As a deuterated building block for the synthesis of isotopically labeled drug candidates to study pharmacokinetics, pharmacodynamics, and metabolic pathways.
• Internal Standard for Mass Spectrometry: Used in quantitative LC-MS and GC-MS analysis due to its nearly identical chemical properties but distinct mass, ensuring accurate measurement of its non-deuterated counterpart in biological matrices.
• Metabolic Stability Studies: Employed to investigate the isotope effect on the metabolic rate and stability of pharmaceutical compounds, aiding in the design of drugs with improved half-lives.
• Agrochemical Development: Serves as a precursor or intermediate in the synthesis of novel, labeled agrochemicals for research into environmental fate and degradation studies.
• Chemical Biology Probes: Utilized in the creation of tagged molecular probes for tracking and imaging studies within biological systems.
• Process Chemistry & Scale-up: Acts as a key intermediate for the GMP-scale production of deuterated active pharmaceutical ingredients (APIs) for clinical trials.

Basic Information

Product Name	5-Methylisoxazole-3-Carboxylic-D4 Acid
CAS No.	1267623-84-6
Molecular Formula	C6D4H2NO3
Molecular Weight	146.14 g/mol (deuterated form)
Synonyms	3-Carboxy-5-methylisoxazole-d4; 5-Methyl-3-isoxazolecarboxylic-d4 Acid; 5-Methylisoxazole-3-carboxylic Acid (methyl-d3, 4-d); Deuteronated 5-Methyl-1,2-oxazole-3-carboxylic Acid; 5-Methyl-1,2-oxazole-3-carboxylic-d4 Acid; (5-Methylisoxazol-3-yl)-D4-carboxylic Acid; Isoxazole-3-carboxylic Acid, 5-methyl-, D4-labeled
EINECS	Contact for details

Quality Control

Our 5-Methylisoxazole-3-Carboxylic-D4 Acid is manufactured under strict quality control protocols to ensure high chemical purity and isotopic enrichment suitable for sensitive analytical and synthetic applications. Each batch is characterized by advanced analytical techniques including NMR (¹H, ¹³C), HPLC, and mass spectrometry to confirm identity, chemical purity, and deuterium incorporation. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after each use to prevent degradation from atmospheric moisture. For long-term storage, consider using desiccants.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Deuterium Incorporation (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.