1034975-62-6

Basic information

• Product Name: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate
• Synonyms: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate
• CAS NO: 1034975-62-6
• Molecular Weight: 529.436
• Mol File: 1034975-62-6.mol

Chemical Properties

• CAS DataBase Reference: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate(1034975-62-6)
• EPA Substance Registry System: 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate(1034975-62-6)

Safety Data

• Hazardous Substances Data: 1034975-62-6(Hazardous Substances Data)

Usage

Uses

Given the provided materials, there are no explicit uses listed for 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate. However, based on the nature of similar complex organic compounds, potential applications could include:
Used in Pharmaceutical Industry:
4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate could be used as an active pharmaceutical ingredient for the development of new drugs, given its complex structure and the presence of various functional groups that may exhibit biological activity.
Used in Chemical Research:
In the field of chemical research, this compound could serve as a subject for studies on synthesis methods, reaction mechanisms, and the exploration of its chemical properties, which may lead to new insights or applications in organic chemistry.
Used in Material Science:
4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate might also be utilized in material science for the development of new materials with specific properties, such as high thermal stability or unique electronic characteristics, due to the presence of fluorine atoms and the trifluoroacetyl group.

Upstream product

• 38041-19-9 4-aminotetrahydropyran 
• 889858-12-2 4-bromo-2-fluoro-benzoic acid tert-butyl ester 
• 942271-60-5 tert-butyl 4-fluoro-2-nitrobenzoate 
• 394-01-4 4-fluoro-2-nitrobenzoic acid 
• 1034975-53-5 tert-butyl 4-(4-methylpiperazine-1-yl)-2-(2,2,2-trifluoro-N-(tetrahydro-2H-pyran-4-yl)acetamido)benzoate 
• 76-05-1 trifluoroacetic acid 
• 1034975-40-0 tert-butyl 4-(4-methylpiperazin-1-yl)-2-(tetrahydropyran-4-ylamino)benzoate 
• 1034975-35-3 tert‐butyl 2‐amino‐4‐(4‐methylpiperazin‐1‐yl)benzoate 
• 942271-61-6 tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate 

Downstream Products

• 1034976-52-7 4-(4-methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)-(2,2,2-trifluoroacetyl)amino]benzoyl chloride 
• 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 
• 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 

Relevant articles and documents

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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.