95982-61-9

Upstream product

• 911291-94-6 benzyl-(2-nitro-benzyliden)-amine 
• 100-46-9 benzylamine 
• 552-89-6 2-nitro-benzaldehyde 
• 612-23-7 2-nitrobenzyl chloride 
• 612-25-9 2-Nitrobenzyl alcohol 
• 190257-36-4 N-benzyl-N-[(2-nitrophenyl)methylidene]amine 
• 3958-60-9 2-nitrophenylmethyl bromide 

Downstream Products

• 1904-75-2 2-((benzylamino)methyl)aniline 
• 141334-87-4 1-Benzyl-5-(2-nitro-phenyl)-2,3-diphenyl-1H-pyrrole 
• 256510-32-4 N-benzyl-N-(2-nitro-benzyl)-acrylamide 
• 22661-22-9 C-(2-nitrophenyl)-N-benzyl-nitrone 
• 22661-27-4 N-<2-Nitro-benzyl>-benzaldoxim 
• 256510-34-6 N-(2-amino-benzyl)-N-benzyl-acrylamide 
• 374078-36-1 4-Benzyl-2-methyl-4,5-dihydro[1,4]benzodiazepin-3-one 
• 374078-38-3 4-Benzyl-2-ethyl-4,5-dihydro[1,4]benzodiazepin-3-one 
• 374078-27-0 N-(2-azido-benzyl)-N-benzyl-acrylamide 
• 374078-30-5 5-Benzyl-3,3a,5,6-tetrahydro[1,2,3]triazolo[1,5-a][1,4]benzodiazepin-4-one 
• 76285-39-7 3-benzyl-3,4-dihydroquinazoline 

Relevant academic research and scientific papers

High-Throughput Screening of Reductive Amination Reactions Using Desorption Electrospray Ionization Mass Spectrometry

This study describes the latest generation of a high-throughput screening system that is capable of screening thousands of organic reactions in a single day. This system combines a liquid handling robot with desorption electrospray ionization (DESI) mass spectrometry (MS) for a rapid reaction mixture preparation, accelerated synthesis, and automated MS analysis. A total of 3840 unique reductive amination reactions were screened to demonstrate the throughputs that are capable with the system. Products, byproducts, and intermediates were all monitored in full-scan mass spectra, generating a complete view of the reaction progress. Tandem mass spectrometry experiments were conducted to verify the identity of the products formed. The amine and electrophile reactivity trends represented in the data match what is expected from theory, indicating that the system accurately models the reaction performance. The DESI results correlated well with those generated using more traditional mass spectrometry techniques like liquid chromatography-mass spectrometry, validating the data generated by the system.

Design, synthesis and identification of N, N-dibenzylcinnamamide (DBC) derivatives as novel ligands for α-synuclein fibrils by SPR evaluation system

PET imaging of α-synuclein (α-syn) deposition in the brain will be an effective tool for earlier diagnosis of Parkinson's disease (PD) due to α-syn aggregation is the widely accepted biomarker for PD. However, the necessary PET radiotracer for imaging is clinically unavailable until now. The lead compound discovery is the first key step for the study. Herein, we initially established an efficient biologically evaluation system well in high throughput based on SPR technology, and identified a novel class of N, N-dibenzylcinnamamide (DBC) compounds as α-syn ligands through the assay. These compounds were proved to have high affinities against α-syn aggregates (KD D) has been acquired, indicating its potential as a new lead compound for developing PET radiotracer.

Facile synthesis of 4-substituted 1,2,4,5-tetrahydro-1,4-benzodiazepin-3-ones by reductive cyclization of 2-chloro-N-(2-nitrobenzyl)acetamides

A facile and efficient method was developed for the synthesis of 1,2,4,5-tetrahydro-1,4-benzodiazepine-3-ones from 2-chloro-N-(2-nitrobenzyl)acetamides through a reductive cyclization using iron-ammonium chloride in ethanol–water in good yields. This method provides a simple approach to these benzodiazepine-3-ones which are of high value in the field of medicinal chemistry research.

Compound capable of being strongly bound with alpha-synuclein aggregate, and preparation method and use of compound

The invention belongs to the technical field of medicine, and relates to a compound with a structural general formula I, and a preparation method and use of the compound. In the formula I, R1 is selected from phenyl, substituted phenyl, pyridyl and pyrimidinyl, and i is selected from 0 to 2, and is an integer; R2 is selected from alkyl, phenyl, substituted phenyl and 5-6-membered aromatic heterocyclic rings, and m is selected from 0 to 5, and is an integer; and R3 is selected from phenyl and substituted phenyl, and n is selected from 0 to 3, and is an integer. The compound comprises a cis-isomer, a trans-isomer or a mixture of the cis-isomer and the trans-isomer of the compound with the formula I structure. The compound can be strongly bound to an alpha-synuclein aggregate, can be used asan imaging tracer for the image technology such as PET, SPECT and the like, or can be used for preparing an imaging tracer and a composition containing the imaging tracer, the compound can be used forparticularly detecting Parkinson's disease or neurological disorders associated with the misfolding and aggregation of alpha-synuclein, and the compound has very good application prospects.

Quinazolinones, Quinazolinthiones, and Quinazolinimines as Nitric Oxide Synthase Inhibitors: Synthetic Study and Biological Evaluation

The synthesis of different compounds with a quinazolinone, quinazolinthione, or quinazolinimine skeleton and their in vitro biological evaluation as inhibitors of inducible and neuronal nitric oxide synthase (iNOS and nNOS) isoforms are described. These d

Use of Quantitative Structure - Activity Relationship (QSAR) and ADMET prediction studies as screening methods for design of benzyl urea derivatives for anti-cancer activity

2D and 3D quantitative structure-activity relationship studies have been carried out for establishing a correlation between the structural properties of benzyl urea derivatives and their anti-tumour activities. From this correlation, the new chemical entities were designed, and their activity and absorption, distribution, metabolism, excretion, and toxicity properties were also predicted. Finally, the most promising compounds from these screening were synthesized and biologically evaluated for their anti-cancer properties. Compound 1-(2, 4-dimethylphenyl)-3, 3-dimethyl-1-(2-nitrobenzyl) urea (7d) showed significant anti-proliferative activity (at 100 μg/mL) in human cancer cell lines-T-cell leukemia (Jurkat J6), myelogenous leukemia (K562), and breast cancer (MCF-7) compared to reference standard 5-flurouracil.

Amination of alcohols catalyzed by copper-aluminium Hydrotalcite: A green synthesis of amines

Copper-aluminium hydrotalcite (CuAl-HT)/K2CO3 has been employed in the activation of various benzyl alcohols with benzylamines to afford the corresponding amines in good to high yields. Experimentation showed that the reaction takes place through sequential transformations: the oxidation of alcohols into carbonyl compounds, imine formation between amines and carbonyl compounds, and then reduction of imines to amines, heterogeneously catalyzed by non-noble Cu-Al HT catalyst in a one-pot and straightforward fashion. The process was further extended to amination of alcohols with anilines, which are often resistant to alkylation reactions when substituted with strong electron-withdrawing groups.

Synthesis of heterocyclic compounds by ring-closing metathesis (RCM): Preparation of oxygenated or nitrogenated compounds

Novel methods for heterocyclic synthesis by metathesis have been developed. Versatile heterocyclic compounds were easily prepared in good yield from intermediate olefins by ring-closing olefin metathesis using the catalyst dichloro(benzylidene)bis(tricycl

One-pot synthesis and hydroxylaminolysis of asymmetrical acyclic nitrones

Aromatic aldehydes 1 were reductively aminated to the corresponding secondary amines 2 using NaBH4 in methanol in good yields. Amines 2 were oxidized with H2O2-WO42- regioselectively to nitrones 3, the structures of which were easily determined by reacting them with hydroxylamine hydrochloride as well as by spectral means. The products of hydroxylaminolysis in ether proved to be the corresponding benzaldehyde oximes 4 and benzyl or methyl hydroxylamine hydrochlorides 5. Copyright Taylor & Francis, Inc.

Propanoic acid derivatives that inhibit the binding of integrins to their receptors

A compound of the structure A method for the inhibition of the binding of α4β1integrin to its receptors, for example VCAM-1(vascular cell adhesion molecule-1) and fibronectin; pharmaceutically active compositions comprising these compounds; and the use of these compounds for the control or prevention of diseases states in which α4β1is involved are also disclosed.