1034975-53-5

Basic information

• Product Name: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester
• Synonyms: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester
• CAS NO: 1034975-53-5
• Molecular Weight: 471.52
• Mol File: 1034975-53-5.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester(1034975-53-5)
• EPA Substance Registry System: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester(1034975-53-5)

Safety Data

• Hazardous Substances Data: 1034975-53-5(Hazardous Substances Data)

Usage

General Description

4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester is a complex chemical compound used in pharmaceutical research. It is a tert-butyl ester derivative of a benzoic acid compound that contains a piperazine and tetrahydropyran-4-yl group, as well as a trifluoroacetyl amino group. 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid tert-butyl ester may have potential medicinal applications due to its diverse structural features, which could allow for interactions with biological receptors and enzymes. However, further studies and testing are required to fully understand its pharmacological properties and potential uses in drug development.

Upstream product

• 889858-12-2 4-bromo-2-fluoro-benzoic acid tert-butyl ester 
• 38041-19-9 4-aminotetrahydropyran 
• 109-01-3 1-methyl-piperazine 
• 1034975-40-0 tert-butyl 4-(4-methylpiperazin-1-yl)-2-(tetrahydropyran-4-ylamino)benzoate 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 1034975-62-6 4-(4-methylpiperazine-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoic acid trifluoroacetic acid salt 
• 1108743-60-7 N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide 
• 1108745-38-5 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzamide 
• 1034976-52-7 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)-(2,2,2-trifluoroacetyl)amino]benzoyl chloride 

Relevant articles and documents

Total Synthesis of Entrectinib with Key Photo-Redox Mediated Cross-Coupling in Flow

By using photo-redox catalysis in flow the newly marketed drug entrectinib (referred to by the brand name Rozlytrek) was synthesized in 6 linear steps from readily available building blocks under mild conditions. Evaluation of multiple intermediates for their use in the critical C?N amination step in flow led to the finding that more electron deficient aryl-halides achieve higher conversion to the desired product. Data supports that more electron rich aryl-halides undergo a significant amount of hydro-dehalogenation compared to the productive C?N bond formation. Through evaluating various entry points into the synthesis of entrectinib, shorter routes were identified albeit in low yields. The modularity of this route will allow chemists to rapidly synthesize a diverse library of compounds through this route. Via different synthetic intermediates, a scale-up route was discovered for the synthesis of entrectinib using photo-redox in flow in less steps than previously reported, highlighting the utility of flow chemistry in the pharmaceutical industry.

HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES

The present invention relates to novel heterocyclic derivatives having general formula (I) and their therapeutic use for diseases such as cancer, inflammation, pain, autoimmune diseases or neurodegenerative diseases like Alzheimer's or Parkinson's disease that can be treated by modulation of certain protein kinases. Compounds of formula (I) can be used for treatment of patients who do not respond to kinase inhibition therapy that comprises currently available medications.

SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS

Substituted indazole derivatives of formula (I) and pharmaceutically acceptable salts thereof, as defined in the specification, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful in therapy in the treatment of diseases associated with a deregulated protein kinase activity, like cancer.