685873-04-5

Basic information

• Product Name: 1-Piperazinecarboxylic acid, 4-[4-fluoro-2-(trifluoromethyl)benzoyl]-, 1,1-dimethylethyl ester
• CAS NO: 685873-04-5
• Molecular Formula: C17H20F4N2O3
• Molecular Weight: 376.351
• Mol File: 685873-04-5.mol

Chemical Properties

• CAS DataBase Reference: 1-Piperazinecarboxylic acid, 4-[4-fluoro-2-(trifluoromethyl)benzoyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperazinecarboxylic acid, 4-[4-fluoro-2-(trifluoromethyl)benzoyl]-, 1,1-dimethylethyl ester(685873-04-5)
• EPA Substance Registry System: 1-Piperazinecarboxylic acid, 4-[4-fluoro-2-(trifluoromethyl)benzoyl]-, 1,1-dimethylethyl ester(685873-04-5)

Safety Data

• Hazardous Substances Data: 685873-04-5(Hazardous Substances Data)

Upstream product

• 141179-72-8 4-fluoro-2-trifluoromethylbenzoic acid 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 189807-21-4 2-trifluoromethyl-4-fluorobenzoyl chloride 

Downstream Products

• 840491-38-5 (4-fluoro-2-(trifluoromethyl)phenyl)(piperazin-1-yl)methanone 

Relevant articles and documents

Design, synthesis and biological evaluation of anthranilamide derivatives as potent SMO inhibitors

A series of anthranilamide derivatives were designed and synthesized as novel smoothened (SMO) inhibitors based on the SMO inhibitor taladegib (LY2940680), which can also inhibit the SMO-D473H mutant, via a ring-opening strategy. The phthalazine core in LY2940680 was replaced with anthranilamide, which retained the inhibitory activity towards the hedgehog (Hh) signaling pathway as evidenced by a dual luciferase reporter gene assay. Compound 12a displayed the best inhibitory activity against the Hh signaling pathway with IC50 value of 34.09 nM, and exhibited better proliferation inhibitory activity towards the Daoy cell line (IC50 = 0.48 μM) than LY2940680 (IC50 = 0.79 μM).

ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS

The present invention relates to novel benzyloxy derivatives having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders.