859027-02-4

Basic information

• Product Name: 4-((4-Methylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)benzoic acid
• Synonyms: 4-((4-Methylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)benzoic acid
• CAS NO: 859027-02-4
• Molecular Weight: 302.296
• Mol File: 859027-02-4.mol
• Article Data: 19

Chemical Properties

• CAS DataBase Reference: 4-((4-Methylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-((4-Methylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)benzoic acid(859027-02-4)
• EPA Substance Registry System: 4-((4-Methylpiperazin-1-yl)Methyl)-3-(trifluoroMethyl)benzoic acid(859027-02-4)

Safety Data

• Hazardous Substances Data: 859027-02-4(Hazardous Substances Data)

Upstream product

• 161622-14-6 4-bromo-3-(trifluoromethyl)benzoic acid 
• 463355-64-8 4-bromo-3-trifluoromethyl-benzoic acid ethyl ester 
• 1262215-68-8 4-formyl-3-trifluoromethyl-benzoic acid ethyl ester 
• 109-01-3 1-methyl-piperazine 
• 863248-28-6 4-(bromomethyl)-3-(trifluoromethyl)benzoic acid methyl ester 
• 896160-80-8 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylbenzoic acid methyl ester 
• 116419-94-4 4-methyl-3-(trifluoromethyl)benzoic acid methyl ester 
• 859213-39-1 4-(bromomethyl)-3-(trifluoromethyl)benzoic acid 
• 859027-01-3 4-bromomethyl-3-trifluoromethyl-benzoic acid ethyl ester 
• 859026-99-6 4-methyl-3-trifluoromethyl-benzoic acid ethyl ester 
• 261952-01-6 4-methyl-3-(trifluoromethyl)benzoic acid 
• 859027-00-2 4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-benzoic acid ethyl ester 

Downstream Products

• 1262215-43-9 N-(3-fluoro-4-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethyl-benzamide 
• 1382844-65-6 N-(5-(3-(cyclopropanecarboxamido)isoquinolin-7-yl)-6-methylpyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide 
• 1616670-36-0 5-{2-chloro-5-[4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylbenzoylamino]-benzylamino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester 
• 1616689-72-5 N-(4-methyl-3-nitrophenyl)-4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylbenzamide 

Relevant articles and documents

ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES

The present invention discloses compounds according to Formula (I) wherein R1, R2, R3, L1, L2, and L3 are as defined herein. The present invention relates to compounds inhibiting discoidin domain receptors (DDRs), methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of fibrotic diseases, inflammatory diseases, respiratory diseases, autoimmune diseases, metabolic diseases, cardiovascular diseases, and/or proliferative diseases by administering a compound of the invention.

Evaluation of carbon-11 labeled 5-(1-methyl-1H-pyrazol-4-yl)-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)nicotinamide as PET tracer for imaging of CSF-1R expression in the brain

Pharmacological targeting of tumor associated macrophages and microglia in the tumor microenvironment is a novel therapeutic strategy in the treatment of glioblastoma multiforme. As such, the colony stimulating factor-1 receptor (CSF-1R) has been identified as a druggable target. However, no validated companion diagnostic marker for these therapies exists to date. Towards development of a CSF-1R PET tracer, a set of six compounds based on recently reported CSF-1R inhibitor 5-(1-methyl-1H-pyrazol-4-yl)-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)nicotinamide (Compound 5) was designed, synthesized and evaluated in vitro for potency and selectivity. The highest affinity for CSF-1R was found for compound 5 (IC50: 2.7 nM). Subsequent radiosynthesis of [11C]5 was achieved in 2.0 ± 0.2% yield (decay corrected to start of synthesis) by carbon-11 carbon monoxide aminocarbonylation in 40 min after end of bombardment. In vitro autoradiography with [11C]5 on rat brain sections demonstrated high specific binding, but also strong off-target binding. Ex vivo, only intact tracer was observed in blood plasma at 90 min post injection in healthy rats. PET scanning results demonstrated negligible brain uptake under baseline conditions and this brain uptake did not increase by blocking of efflux transporters using Tariquidar. To conclude, [11C]5 was successfully synthesized and evaluated in healthy rats. However, the inability of [11C]5 to cross the blood-brain-barrier excludes its use for imaging of CSF-1R expression in the brain.

Synthetic method of intermediate of flumatinib mesylate

The invention discloses a synthetic method of an intermediate of flumatinib mesylate, and particularly relates to a preparation method of a key intermediate for synthesizing flumatinib mesylate. The initial raw material 4-methyl-3-trifluoro-methyl methyl