34680-81-4

Usage

Uses

Used in Pharmaceutical Industry:
2-Bromo-N-methylacetamide is used as a synthetic intermediate for the development of pharmaceuticals, contributing to the creation of new medications that address various health conditions. Its role in synthesis is vital for producing active pharmaceutical ingredients (APIs) that can be formulated into final drug products.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Bromo-N-methylacetamide serves as an intermediate in the synthesis of compounds that are utilized in the development of pesticides and other agricultural chemicals. These products are essential for enhancing crop protection and ensuring food security.
Used in Dye and Polymer Manufacturing:
2-Bromo-N-methylacetamide is also employed as an intermediate in the production of dyes and polymers, which are used across a wide range of industries for coloring textiles, plastics, and other materials. Its involvement in these manufacturing processes is key to achieving the desired properties and performance of the final products.

InChI:InChI=1/C3H6BrNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)

Upstream product

• 598-21-0 2-Bromoacetyl bromide 
• 74-89-5 methylamine 
• 79-08-3 bromoacetic acid 
• 22118-09-8 2-bromoacetyl chloride 
• 593-51-1 methylamine hydrochloride 

Downstream Products

• 60-51-5 Dimethoate 
• 57837-07-7 2-(2,6-Diethyl-phenylamino)-N-methyl-acetamide 
• 55882-98-9 2,6-dimethylanilinoacetic acid methyl amide 
• 164210-32-6 (S)-(+)-2-(4-hydroxyphenyl)propionic acid N-methylcarbamoylmethyl ester 
• 265983-58-2 N,N-dimethyl(2-benzyloxy-3,5-dimethyl)phenoxyacetamide 
• 1021245-67-9 2-[(4-methoxyphenyl)amino]-N-methylacetamide 
• 1277182-09-8 2-p-nitrobenzyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetra(methylcarbonylamide) 
• 1277182-11-2 1-benzyloxycarbonyl-1,4,7,10-tetraazacyclododecane-4,7,10-tri(methylcarbonylamide) 
• 1451566-31-6 C₉H₁₂N₂O₂ 
• 1021087-41-1 C₉H₁₁ClN₂O 
• 1021003-40-6 2-((4-methylphenyl)amino)-N-methylacetamide 

Relevant academic research and scientific papers

Structure–Activity and Structure–Toxicity Relationships of Peptoid-Based Histone Deacetylase Inhibitors with Dual-Stage Antiplasmodial Activity

Novel malaria intervention strategies are of great importance, given the development of drug resistance in malaria-endemic countries. In this regard, histone deacetylases (HDACs) have emerged as new and promising malaria drug targets. In this work, we present the design, synthesis, and biological evaluation of 20 novel HDAC inhibitors with antiplasmodial activity. Based on a previously discovered peptoid-based hit compound, we modified all regions of the peptoid scaffold by using a one-pot multicomponent pathway and submonomer routes to gain a deeper understanding of the structure–activity and structure–toxicity relationships. Most compounds displayed potent activity against asexual blood-stage P. falciparum parasites, with IC50 values in the range of 0.0052–0.25 μm and promising selectivity over mammalian cells (SIPf3D7/HepG2: 170–1483). In addition, several compounds showed encouraging sub-micromolar activity against P. berghei exo-erythrocytic forms (PbEEF). Our study led to the discovery of the hit compound N-(2-(benzylamino)-2-oxoethyl)-N-(4-(hydroxycarbamoyl)benzyl)-4-isopropylbenzamide (2 h) as a potent and parasite-specific dual-stage antiplasmodial HDAC inhibitor (IC50 Pf3D7=0.0052 μm, IC50 PbEEF=0.016 μm).

Thermodynamic and structural properties of Gd3+ complexes with functionalized macrocyclic ligands based upon 1,4,7,10-tetraazacyclododecane

The co-ordination properties toward Na+, Ca2+, Zn2+, Cu2+ and Gd3+ of six ligands containing pendant functionalities attached to the common 1,4,7,10-tetraazacyclododecane macrocyclic ring have been studied by means of potentiometric and microcalorimetric methods. Stability constants for the l,4,7,10-tetra(methylcarbamoylmethyl) ligand (DTMA), and for the new 10-(2-hydroxypropyl) 1,4,7-tri(2-hydroxymethylacetic acid) (HPDO3A-3HM) and 1,4,7-tri(2-hydroxymethylacetic acid) ligand (DO3A-3HM) are reported for the first time, while analogous data for the remaining ligands have been redetermined under the same experimental conditions (0.1 mol dm-3 NMe4Cl, 298.1 ±0.1 K). The synthesis of DTMA is also described. The stability of the GdL complexes follows the order DOTA (1,4,7,10-tetraacetic acid) ≈ HPDO3A [10-(2-hydroxypropyl) 1,4,7-triacetic acid] > DO3A (1,4,7-triacetic acid) > HPDO3A-3HM > DO3A-3HM > DTMA, although considering both complex formation and ligand basicity the binding selectivity of these ligands at physiological pH follows the order HPDO3A > DOTA > HPDO3A-3HM > DO3A-3HM > DO3A > DTMA. The thermodynamic resistance of the Gd3+ complexes, at a plasma concentration of clinical administrations, toward demetallation in the presence of important components of blood plasma, such as Na+, Ca2+, Cu2+, Zn2+, phosphate and carbonate, has been evaluated: the results are consistent with the previous trend of binding selectivity. The formation of intermediate complexed species formed in the first minutes of the complexation reactions has been studied from a thermodynamic point of view. The crystal structure of [Gd(DTMA)(H2O)][ClO4]3-NaClO43H2O) solved by X-ray analysis, displays the Gd3+ ion in a 9-co-ordinated environment defined by four nitrogens of the tetraazamacrocyclic moiety, eight amidic oxygen atoms of the side arms and by an oxygen atom of a water molecule. The Royal Society of Chemistry 2000.

In Vitro Anti-Toxoplasma gondii Activity Evaluation of a New Series of Quinazolin-4(3H)-one Derivatives

Toxoplasmosis post serious threaten to human health, leading to severely eye and brain disease, especially for immunocompromised patients and pregnant women. The multiple side effects and long dosing period of current main treatment regiments calls for high effective and low toxicity anti-toxoplasmosis drugs. Herein, we report our efforts to synthesize a series of 2-(piperazin-1-yl)quinazolin-4(3H)-one derivatives and investigate their activity against Toxoplasma gondii tachyzoites in vitro based on cell phenotype screening. Among the 26 compounds, 8w and 8x with diaryl ether moiety at the side chain of piperazine exhibited good efficacy to inhibit T. gondii, with IC50 values of 4 μM and 3 μM, respectively. Structure-activity relationship (SAR) studies implies that hydrophobic aryl at the side chain would be preferred for improvement of activity. Molecular docking study reveals these two compounds appeared high affinity to TgCDPK1 by interaction with the hydrophobic pocket of ATP-binding cleft.

Synthesis and preliminary evaluation of novel 11C-labeled GluN2B-selective NMDA receptor negative allosteric modulators

N-methyl-D-aspartate receptors (NMDARs) play critical roles in the physiological function of the mammalian central nervous system (CNS), including learning, memory, and synaptic plasticity, through modulating excitatory neurotransmission. Attributed to et

GluN2B subunit targeting central nervous system positron tracer and preparation thereof

The existing GluN2B selective positron tracer has relatively high affinity and selectivity, but does not show ideal tracer properties in an in vivo experiment, has the problems of overquick metabolism, lower brain uptake, undifferentiated distribution in the whole brain, overquick degradation of C-11 labeled probe and off-target phenomenon caused by influence of other target spots in the brain, which limit the further translational research. The invention designs a novel GluN2B subunit targeting central nervous system positron tracer, reduces the metabolism rate of the tracer and prolongs theservice time by utilizing the characteristics that a methylamino structure is stable and not easy to metabolize. Meanwhile, the tracer of the invention is easy to be detected and traced through experiments, and has a better electron tracing effect. In addition, a preparation method provided by the invention is mild in conditions, and can quickly obtain a high-purity C11-labeled tracer injection,so as to effectively solve the problem of overquick degradation of the C-11 labeled probe.

TRICYCLIC COMPOUNDS HAVING SULFINYL AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

It is intended to provide a compound that exhibits a wide antibacterial spectrum against various bacteria including gram-negative bacteria, and a pharmaceutical composition having an antibacterial activity against carbapenem-resistant bacteria.

PHARMACEUTICAL COMPOSITION CONTAINING TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL

PROBLEM TO BE SOLVED: To provide a pharmaceutical composition that has antibacterial activity against carbapenem-resistant bacteria. SOLUTION: A pharmaceutical composition contains a compound represented by formula (I), its ester body or their pharmaceutically acceptable salts, or their hydrates (W is S(=O) or S(=O)2; T is CR4AR4B or CR5AR5B-CR6AR6B; R4A, R4B, R5A, R5B, R6A and R6B independently represent halogen, hydroxy, carbonyl, alkyl, cycloalkyl, aryl or the like; R1 is a carbocycle or heterocycle; R2A and R2B independently represent H, amino, hydroxy and the like, or R2A and R2B together form methylidene, hydroxyimino and the like; R3 is H, methoxy or the like). SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

Conformational Features of Thioamide-Containing Dipeptoids and Peptoid-Peptide Hybrids - Computational and Experimental Approaches

The effects of thioamide incorporation into N,N-dimethyl-2-(N-methylacetamido)acetamide and N-methyl-2-(N-methylacetamido)acetamide as the simplest models of a dipeptoid structure and a peptoid-peptide hybrid are discussed. The solvent-modulated conformational features of model compounds were examined by computations enhanced by natural bond orbital (NBO) analysis and experimentally by kinetic and equilibrium measurements using NMR spectroscopy. The computations supported by NBO analysis showed that intrinsic stability of the predominant trans isomer (αD and C7β forms) of the dipeptoid model results from an indirect n → π? interaction, occurring between the carbonyl oxygen lone pair (n) and the π? orbital of the adjacent amide carbonyl through the C-H antibond (σ?). The direct n → π? interaction constitutes a negligible contribution to trans stabilization. The N-terminal thioxo substitution increases this indirect electron delocalization, making the αD isomer prevalent. The nX → σN′C-H? interaction is an additional source of stability of the trans-C7β form relevant for the underivatized dipeptoid model and its C-terminal thioamide counterpart. In the peptoid-peptide hybrid, the trans preference is perturbed by subtle differences in the H-bond donor-acceptor abilities between the thioxo and oxo groups. The cis isomer becomes more populated with an increase in the strength of polarity and the hydrogen bonding acceptor ability of the solvent molecules. While thioxo substitution slightly shifts the trans-cis equilibrium in polar solvents, it effectively allows for increasing or decreasing the barrier to trans-cis rotation with respect to underivatized model compounds depending on N- vs C-terminal thioamide backbone substitution.

A 4 - phenyl quinoline compound, preparation method and application thereof (by machine translation)

The invention discloses a 4 - phenyl quinoline compound, its preparation method and application, the invention of the 4 - phenyl quinoline compound to, its structure (I) shown in the diimmonium: Wherein R1 Is - OH, - Cl, - OCH3 Or -

A silver triflate-catalyzed cascade of in situ-oxidation and allylation of arylbenzylamines

A silver-triflate catalyzed cascade of in situ-oxidation and allylation of arylbenzylamines is reported. The 2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate is employed as a mild oxidant which is compatible with both catalyst and ligand. Racemic BINAP is also utilized to assist with the catalyst in regulating the yields of products. Various homoallylic amines are obtained in 39–99% yields.