21735-63-7

Usage

Uses

Used in Pharmaceutical Industry:
3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid is used as a pharmaceutical intermediate for the synthesis of various drugs. Its ability to inhibit fatty acid amide hydrolase (FAAH) makes it a potential candidate for the development of medications targeting pain, inflammation, and neurological disorders.
Used in Pain Management:
3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid is used as an analgesic agent for the treatment of pain. Its inhibition of FAAH leads to increased levels of endocannabinoids, which are known to play a role in pain modulation.
Used in Anti-Inflammatory Applications:
3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid is used as an anti-inflammatory agent. Its inhibition of FAAH can help reduce inflammation by modulating the endocannabinoid system.
Used in Neurological Disorder Treatment:
3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid is used as a potential treatment for neurological disorders. Its ability to modulate the endocannabinoid system may provide therapeutic benefits for conditions such as anxiety, depression, and neurodegenerative diseases.
Used in Anti-Cancer Research:
3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid is used in anti-cancer research for its potential anti-tumor properties. Studies are being conducted to explore its effectiveness in inhibiting the growth and progression of cancer cells.
Used in Anti-Inflammatory Research:
3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid is used in anti-inflammatory research to investigate its potential to reduce inflammation and alleviate symptoms associated with inflammatory conditions.

Upstream product

• 5661-55-2 4-phenylazetidin-2-one 
• 76-05-1 trifluoroacetic acid 
• 383-63-1 ethyl trifluoroacetate, 
• 3646-50-2 3-Amino-3-phenylpropionic acid 
• 100-52-7 benzaldehyde 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 149193-92-0 3-Amino-3-phenyl-propionic acid tert-butyl ester 
• 403671-98-7 trans-1-aminoindan-3-ol 
• 403671-98-7 cis-1-aminoindan-3-ol 
• 27129-49-3 4-phenylimidazolidin-2-one 
• 117291-44-8 3-amino-1-indanone 
• 406675-24-9 3-oxo-5-phenyl-5-(2,2,2-trifluoro-acetylamino)-pentanoic acid tert-butyl ester 
• 406675-32-9 3-oxo-5-phenyl-5-(2,2,2-trifluoro-acetylamino)-pentanoic acid 
• 406675-28-3 3-oxo-5-phenyl-5-(2,2,2-trifluoro-acetylamino)-pentanoic acid methyl ester 
• 118264-04-3 6-phenyl-5,6-dihydro-2,4(1H,3H)-pyridinedione 
• 117291-26-6 (+/-)-3-(2,2,2-trifluoroacetamido)-3-phenylpropanoyl chloride 

Relevant academic research and scientific papers

The kinetic resolution of oxazinones by alcoholysis: access to orthogonally protected β-amino acids

The catalytic, alcoholytic kinetic resolution of oxazinones is reported. A novel, stereochemically dense cinchona alkaloid-based catalyst can facilitate the highly enantiodiscriminatory (Sup to 101) ring-opening of oxazinones equipped with electrophilic aryl units to generate orthogonally protected β-amino acids for the first time.

TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases

The interest on computational techniques for the discovery of neuroprotective drugs has increased due to recent fail of important clinical trials. In fact, there is a huge amount of data accumulated in public databases like CHEMBL with respect to structurally heterogeneous series of drugs, multiple assays, drug targets, and model organisms. However, there are no reports of multi-target or multiplexing Quantitative Structure-Property Relationships (mt-QSAR/mx-QSAR) models of these multiplexing assay outcomes reported in CHEMBL for neurotoxicity/neuroprotective effects of drugs. Accordingly, in this paper we develop the first mx-QSAR model for multiplexing assays of neurotoxicity/neuroprotective effects of drugs. We used the method TOPS-MODE to calculate the structural parameters of drugs. The best model found correctly classified 4393 out of 4915 total cases in both training and validation. This is representative of overall train and validation Accuracy, Sensitivity, and Specificity values near to 90%, 98%, and 80%, respectively. This dataset includes multiplexing assay endpoints of 2217 compounds. Every one compound was assayed in at least one out of 338 assays, which involved 148 molecular or cellular targets and 35 standard type measures in 11 model organisms (including human). The second aim of this work is the exemplification of the use of the new mx-QSAR model with a practical case of study. To this end, we obtained again by organic synthesis and reported, by the first time, experimental assays of the new 1,3-rasagiline derivatives 3 different tests: assay (1) in absence of neurotoxic agents, (2) in the presence of glutamate, and (3) in the presence of H2O2. The higher neuroprotective effects found for each one of these assays were for the stereoisomers of compound 7: compound 7b with protection = 23.4% in assay (1) and protection = 15.2% in assay (2); and for compound 7a with protection = 46.2% in assay (3). Interestingly, almost all compounds show protection values >10% in assay (3) but not in the other 2 assays. After that, we used the mx-QSAR model to predict the more probable response of the new compounds in 559 unique pharmacological tests not carried out experimentally. The results obtained are very significant because they complement the pharmacological studies of these promising rasagiline derivatives. This work paves the way for further developments in the multi-target/multiplexing screening of large libraries of compounds potentially useful in the treatment of neurodegenerative diseases.

Discovery of a potent, selective, and less flexible selective norepinephrine reuptake inhibitor (sNRI)

The design, synthesis, and SAR of a series of ring-constrained norepinephrine reuptake inhibitors are described. A substantially rigid inhibitor with potent functional activity at the transporter (IC50 = 8 nM) was used to develop a model for th

An expedient synthesis of 6-arylpiperidine-2,4-diones by chain-extension of β-aryl-β-aminoacids

The synthesis of novel 6-arylpiperidine-2,4-diones is described in five steps starting from β-aryl-β-aminoacids via the chain extension of the latter into δ-aryl-δ-amino-β-ketoacids. The chemical pathway involves an acylation of Meldrum's acid and yields useful building blocks for heterocyclic chemistry.

Efficient synthesis of 2-aryl-6-methyl-2,3-dihydro-1H-pyridin-4-ones

Syntheses of 2-aryl-6-methyl-2,3-dihydro-1H-pyridin-4-ones were achieved starting from corresponding β-arylβ-amino acids. This reaction sequence involved, as a key step, the condensation of an acid chloride with a diketone using SmI3 as catalyst. A final intramolecular cyclization furnished the attempted product. (C) 2000 Elsevier Science Ltd.

Effective cerebral antihypoxic activity of new aminocyclopentanones

Effective antihypoxic activity of new aminocyclopentanones which was higher than that of the reference compounds has been demonstrated by the SCR hypoxia test.

β-substituted β-phenylpropionyl chymotrypsins. Structural and stereochemical features in stable acyl enzymes

In order to develop effective alternate substrate inhibitors for serine proteases, we have prepared a series of β-substituted β-phenylpropionic acid esters related to some systems known to form stable acyl enzymes with α-chymotrypsin. Some of these compounds were prepared in enantiomerically pure form by asymmetric synthesis. Acyl enzyme species were generated from chymotrypsin by reaction with the active esters, and the progress of deacylation was monitored by the proflavin displacement assay. In some cases, it was possible to distinguish two different deacylation rates that correspond to the two enantiomers. β-Phenylpropionic acyl enzymes with β-substituents that are nonpolar were not especially stable, but a number of the polar derivatives and particularly the acylamino derivatives showed slow rates of deacylation (k(d) less than 0.005 min-1), with three systems showing deacylation enantioselectivities in the range of 500-1500. These results are consistent with a model in which additional stabilization of the acyl enzyme and enantioselectivity in the deacylation process derives from an additional hydrogen bond between the acyl enzyme species (as an acceptor) and the enzyme (as a donor). A number of active site residues that might be involved in this hydrogen bond are discussed.

Indanoaziridine: conditions of synthesis

The synthesis of indanoaziridine is described starting from 3-aminoindan-1-one in two steps: halogenation and subsequent cyclization.The structures are discussed.IR, 1H-RMN, 13C-RMN and mass spectra are described.

Une synthese simple des premieres amino-3 indanones-1

The synthesis of various substituted 3-amino-1-indanones was achieved in five steps starting from corresponding benzaldehydes.