Description

4-[4-[[4-Chloro-3-(Trifluoromethyl)Phenyl]Carbamoylamino]-3-Fluorophenoxy]-1-Oxido-n-(Trideuteriomethyl)Pyridin-1-Ium-2-Carboxamide is a high-purity, deuterated chemical intermediate of significant importance in advanced pharmaceutical research and development. Its complex molecular structure, featuring a trifluoromethyl group, chloro and fluoro substituents, and a deuterated methyl group, makes it a critical building block for creating novel active pharmaceutical ingredients (APIs) with optimized metabolic profiles. This compound is primarily sought after by pharmaceutical companies, contract research organizations (CROs), and academic research institutions focused on drug discovery, particularly in areas requiring isotopic labeling for pharmacokinetic and metabolic studies.

Application

• Deuterated Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of deuterium-labeled drug candidates, enhancing metabolic stability and extending half-life.
• Drug Discovery & Development: Used in medicinal chemistry for structure-activity relationship (SAR) studies and the development of new chemical entities, especially in oncology and central nervous system (CNS) therapeutic areas.
• Metabolic Tracing Studies: The incorporated deuterium atoms make it an invaluable tool for mass spectrometry-based ADME (Absorption, Distribution, Metabolism, and Excretion) studies in preclinical research.
• Reference Standard: Can be utilized as a high-purity analytical standard for quality control and method development in pharmaceutical analysis.
• Biochemical Research: Applied in probing enzyme mechanisms and biological pathways where isotopic labeling is required.
• Custom Synthesis: Acts as a starting material for the custom synthesis of more complex, labeled molecules for specialized client projects.

Basic Information

Product Name	4-[4-[[4-Chloro-3-(Trifluoromethyl)Phenyl]Carbamoylamino]-3-Fluorophenoxy]-1-Oxido-n-(Trideuteriomethyl)Pyridin-1-Ium-2-Carboxamide
CAS No.	1333489-03-4
Molecular Formula	C21H14D3ClF4N4O4
Molecular Weight	~503.82 g/mol
Synonyms	N-(Trideuteriomethyl)-4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonylamino]-3-fluorophenoxy]-1-oxido-2-pyridinecarboxamide; 2-Pyridinecarboxamide, 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonylamino]-3-fluorophenoxy]-1-oxido-N-(trideuteriomethyl)-; Deuterated Chloro-Trifluoromethyl Phenyl Urea Pyridine Derivative; (CD3)-Labeled Pyridinium Carboxamide Intermediate; 1333489-03-4 (CAS); Deuterium-labeled kinase inhibitor intermediate.
EINECS	Contact for details

Quality Control

Every batch of our 4-[4-[[4-Chloro-3-(Trifluoromethyl)Phenyl]Carbamoylamino]-3-Fluorophenoxy]-1-Oxido-n-(Trideuteriomethyl)Pyridin-1-Ium-2-Carboxamide is manufactured and analyzed under a strict quality management system. We provide comprehensive analytical data to ensure the identity, purity, and isotopic enrichment meet the exacting standards required for pharmaceutical R&D. Certificates of Analysis (COA) detailing results from HPLC, NMR (¹H, ¹³C, ¹⁹F), MS, and deuterium incorporation analysis are available upon request and accompany each shipment.

Storage

Preserve in a tightly closed container, protected from light. Due to its hygroscopic (moisture-sensitive) nature, store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry place. For long-term stability, storage at 2-8°C is recommended. Allow the sealed container to reach room temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Deuterium Incorporation (MS/NMR)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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