1130115-44-4

Basic information

• Product Name: Sorafenib-d3
• Synonyms: Donafenib Tosylate
• CAS NO: 1130115-44-4
• Molecular Formula: C₂₁H₁₆ClF₃N₄O₃
• Molecular Weight: 464.8249496
• Product Categories: Inhibitors;Intermediates & Fine Chemicals;Isotope Labelled Compounds;Pharmaceuticals
• Mol File: 1130115-44-4.mol

Chemical Properties

• Melting Point: 202-204?C
• Appearance: /
• Storage Temp.: -20°C Freezer
• CAS DataBase Reference: Sorafenib-d3(CAS DataBase Reference)
• NIST Chemistry Reference: Sorafenib-d3(1130115-44-4)
• EPA Substance Registry System: Sorafenib-d3(1130115-44-4)

Safety Data

• Hazardous Substances Data: 1130115-44-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
Sorafenib-d3 is used as a labeled compound for tracking and studying the distribution, metabolism, and excretion of Sorafenib in biological systems. The deuterium labeling provides a stable and non-radioactive alternative to traditional radioactive isotopes, making it safer and more convenient for researchers to use.
Used in Cancer Treatment:
Sorafenib-d3 is used as an antineoplastic agent for the treatment of various types of cancer. Its RAF kinase inhibitory activity helps in controlling tumor growth and progression by targeting specific signaling pathways involved in cancer development.
Used in Drug Metabolism and Pharmacokinetic Studies:
Sorafenib-d3 is used as a research tool in drug metabolism and pharmacokinetic studies to understand the absorption, distribution, metabolism, and excretion of the drug in the body. The labeled compound allows for easier detection and quantification of Sorafenib and its metabolites, providing valuable insights into its pharmacological properties and potential side effects.
Used in Drug Interaction Studies:
Sorafenib-d3 is used in drug interaction studies to investigate the potential effects of other drugs or compounds on the pharmacokinetics, pharmacodynamics, and safety of Sorafenib. This information is crucial for the development of combination therapies and the assessment of drug safety in clinical settings.

Upstream product

• 1189858-48-7 4-chloropyridinyl-2-(N-1',1',1'-trideuteromethylcarboxamide) 
• 1187086-96-9 N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazole-1-carboxamide 
• 1189975-18-5 4-(4-aminophenoxy)-2-pyridine-(N-(methyl-d₃))carboxamide 
• 59-67-6 nicotinic acid 
• 53750-66-6 4-chloro-pyridine-2-carbonyl chloride 
• 98-98-6 2-Picolinic acid 
• 5470-22-4 4-chloropicolinic acid 
• 1012058-78-4 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxylic acid 
• 1097726-89-0 tert-butyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate 
• 1097726-88-9 tert-butyl 4-(4-aminophenoxy)picolinate 
• 220000-86-2 tert-butyl 4-chloropyridine-2-carboxylate 
• 893004-65-4 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)urea 
• 327-78-6 4-chloro-3-(trifluoromethyl)phenyl isocyanate 
• 573673-43-5 methyl 4‐(4‐(3‐(4‐chloro‐3‐(trifluoromethyl)phenyl)ureido)phenoxy)picolinate 

Downstream Products

• 1333386-17-6 4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxyl)-2-(N-1’,1’,1’-trideuteromethyl)pyridine amide p-toluenesulfonate 

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.

Preparation deuterated diphenylurea (by machine translation)

The invention relates to a method for preparing deuterated diphenyl urea. Specifically, the invention provides an intermediate N-(1, 1, 1-3 deuterated methyl) benzo succinimide which can be used for preparing a deuterated diphenyl urea compound and an application of the intermediate in the preparation of the deuterated diphenyl urea compound. The method can be used for conveniently preparing the intermediate with the high purity and various deuterated diphenyl urea compounds in high efficiency.

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.

POLYMORPHS OF DEUTERATED OMEGA-DIPHENYLUREA OR SALTS THEREOF

The invention relates to polymorphs of deuterated omega-diphenylurea or salts thereof. In particular, the invention provides polymorphs of 4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl)-ureido]-phenoxy}-2-(N-1′,1′,1′-trideutero-methyl)picolinamide or its sa

PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA

A fluoro-substituted deuterated diphenylurea compound, especially 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-2-(N-(methyl-d3))picolinamide, preparing method and use for treating or preventing tumor and relative diseases thereof.

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.

METHOD FOR PREPARING DEUTERATED DIPHENYLUREA

Disclosed are an intermediate compound of N-(1,1,1-trideuterated methyl)phthalimide, and its use in the preparation of deuterated diphenylurea derivative.

METHOD FOR PREPARING DEUTERATED DIPHENYLUREA

Disclosed are an intermediate compound of N-(1,1,1-trideuterated methyl)phthalimide, and its use in the preparation of deuterated diphenylurea derivative.

PREPARATION METHODS OF METHYL-D3-AMINE AND SALTS THEREOF

Preparation methods of methyl-d3-amine and salts thereof are provided, which contain the following steps: (i) nitromethane is subjected to react with deuterium oxide in the present of bases and phase-transfer catalysts to form nitromethane-d3, which is subsequently subjected to reduction in an inert solvent to form methyl-d3-amine, and optionally, methyl-d3-amine reacts subsequently with acids to form salts of methyl-d3-amine; or (ii) N-(1,1,1-trideuteriomethyl)phthalimide is subjected to react with acids to form salts of methyl-d3-amine. The present methods are easy, high efficient, and low cost.

DEUTERIUM-SUBSTITUTED OMEGA-DIPHENYLUREA AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS

This invention relates to deuterated ω-diphenylurea and derivatives and pharmaceutical acceptable salts thereof. And the pharmaceutical compositions comprising the pharmaceutically acceptable carrier and the deuterium-substituted ω-diphenylurea and derivatives and pharmaceutical acceptable salts thereof are also provided. The deuterium-substituted diphenylurea can be used in treatment or prevention of cancer and other related diseases.