1189858-48-7

Basic information

• Product Name: 4-Chloro-N-(methyl-d3)pyridine-2-carboxamide
• Synonyms: 4-Chloro-N-(methyld3)-2-pyridinecarboxamide;4-Chloro-N-(methyl-d3)picolinamide;4-Chloro-N-(methyl-d3)pyridine-2-carboxamide;4-Chloropyridine-2-carboxylic Acid (Methyl-d3)amide;N-(Methyl-d3)-4-chloro-2-pyridinecarboxamid;N-(Methyl-d3)-4-chloro-2-pyridinecarboxamide
• CAS NO: 1189858-48-7
• Molecular Formula: C₇H₇ClN₂O
• Molecular Weight: 170.59628
• Product Categories: Chemical Amines;Amines;Aromatics;Heterocycles;Isotope Labeled Compounds;Isotope Labelled Compounds
• Mol File: 1189858-48-7.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
• CAS DataBase Reference: 4-Chloro-N-(methyl-d3)pyridine-2-carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-N-(methyl-d3)pyridine-2-carboxamide(1189858-48-7)
• EPA Substance Registry System: 4-Chloro-N-(methyl-d3)pyridine-2-carboxamide(1189858-48-7)

Safety Data

• Hazardous Substances Data: 1189858-48-7(Hazardous Substances Data)

Usage

Description

4-Chloro-N-(methyl-d3)pyridine-2-carboxamide is an off-white solid compound with the chemical formula C7H73ClN2O. It is a derivative of pyridine-2-carboxamide, featuring a chloro and a deuterated methyl group attached to the pyridine ring. 4-Chloro-N-(methyl-d3)pyridine-2-carboxamide is characterized by its unique chemical properties and is useful in various applications, particularly in organic synthesis.

Uses

Used in Organic Synthesis:
4-Chloro-N-(methyl-d3)pyridine-2-carboxamide is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure allows it to serve as a building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. The presence of the chloro and deuterated methyl groups provides opportunities for further functionalization and modification, making it a versatile component in organic synthesis.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Chloro-N-(methyl-d3)pyridine-2-carboxamide is used as a key intermediate in the development of new drugs. Its unique chemical properties enable it to be incorporated into the molecular structures of potential therapeutic agents, contributing to the discovery of novel medications with improved efficacy and selectivity.
Used in Agrochemical Industry:
4-Chloro-N-(methyl-d3)pyridine-2-carboxamide is also utilized in the agrochemical industry for the synthesis of new pesticides and herbicides. Its structural features make it a valuable component in the design of innovative agrochemicals that can effectively control pests and weeds while minimizing environmental impact.
Used in Research and Development:
In the field of research and development, 4-Chloro-N-(methyl-d3)pyridine-2-carboxamide serves as a valuable compound for studying various chemical reactions and processes. Its unique properties make it an interesting subject for investigations into reaction mechanisms, synthetic methodologies, and the development of new catalysts and reagents.

Upstream product

• 5470-22-4 4-chloropicolinic acid 
• 7436-22-8 methyl-d3-amine hydrochloride 
• 24484-93-3 4-Chloro-pyridine-2-carboxylic acid methyl ester 
• 5581-55-5 Methylamin-C-D₃ 
• 98-98-6 2-Picolinic acid 
• 53750-66-6 4-chloro-pyridine-2-carbonyl chloride 
• 59-67-6 nicotinic acid 
• 176977-85-8 methyl 4-chloropyridine-2-carboxylate hydrochloride 

Downstream Products

• 1130115-44-4 N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-(methyl-d₃)aminoformyl)-4-pyridyloxy)phenyl)urea 
• 1189975-18-5 4-(4-aminophenoxy)-2-pyridine-(N-(methyl-d₃))carboxamide 
• 1257864-28-0 4-(4-amino-3-fluorophenoxy)-N-(methyl-d₃)picolinamide 
• 1333386-18-7 4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)-3-fluorophenoxy)-2-(N-1',1',1'-trideuteromethyl)pyridine amide p-toluenesulfonate 
• 1333386-17-6 4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxyl)-2-(N-1’,1’,1’-trideuteromethyl)pyridine amide p-toluenesulfonate 
• 1333489-03-4 C₂₁H₁₂⁽²⁾H₃ClF₄N₄O₄ 
• 1333488-98-4 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluoro-phenoxy)-N-(methyl-d₃)picolinamide hydrochloride 
• 1333390-47-8 C₂₁H₁₂⁽²⁾H₃ClF₄N₄O₃*CH₄O₃S 
• 1255386-16-3 4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)-3-fluorophenoxy)-2-(N-1',1',1'-trideuteromethyl)pyridine amide 
• 1333489-01-2 phenyl 2-fluoro-4-(2-((methyl-d₃)carbamoyl)pyridin-4-yloxy)phenylcarbamate 

Relevant articles and documents

Synthesis of deuterium-enriched sorafenib derivatives and evaluation of their biological activities

Deuterium substitution has been widely known that can improve the pharmacokinetic profiles due to isotope effect. Herein, a series of deuterated sorafenib derivatives have been synthesized and characterized by 1H NMR, 13C NMR and MS. Their antitumor activities were evaluated in vitro against human hepatoma cell line HepG2 and human cervical carcinoma cell line HeLa. The LogP values were detected by high-performance liquid chromatography. Subsequently, the metabolic stability and pharmacokinetics study were assessed in vitro and in vivo.

Deuterated bisarylurea compound and preparation method thereof, and application of compound in preparation of antitumor drug

The invention provides a deuterated bisarylurea compound and a preparation method thereof, and application of the compound in preparation of an antitumor drug. The compound has a structure as shown in a general formula (I). The preparation method comprises the following steps: with methyl 4-chloropyridine-2-formate as a raw material, sucjecting methyl 4-chloropyridine-2-formate and methylamine or deuterated methylamine to a substitution reaction; then subjecting a product obtained in the previous step to condensation with p-aminophenol or deuterated p-aminophenol; and reacting a product obtained in the previous step with 4-chloro-3-(trifluoromethyl)phenyl isocyanate or deuterated 4-chloro-3-(trifluoromethyl)phenyl isocyanate so as to prepare the deuterated bisarylurea compound. Experiment results show that the deuterated bisarylurea compound provided by the invention has tumor treatment effect. The invention also provides application of the compound to research and development of the antitumor drug.

METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED OMEGA-DIPHENYLUREA

Methods and processes for preparation and production of deuterated ω-diphenylurea are disclosed. Especially, a kind of deuterated ω-diphenylurea compounds which can inhibit phosphokinase and the preparation method of N-(4-chloro-3-(trifluoromethyl)phenye-N′-(4-(2-(N-d3-methylcarbamoyl)-4-pridinyloxy)phenyl)urea are disclosed. The said deuterated diphenylurea compounds can be used for treating or preventing tumors and relative diseases.