99548-53-5

Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-4-ethylbenzoic acid is used as a key intermediate in the synthesis of benzocarbacephem and benzocarbapenem derivatives. These derivatives act as inactivators of β-lactamases, which are enzymes produced by bacteria that confer resistance to β-lactam antibiotics. By incorporating 3-bromo-4-ethylbenzoic acid into the structure of these derivatives, it helps to overcome bacterial resistance and enhance the effectiveness of antibiotics in treating infections caused by β-lactamase-producing bacteria.

InChI:InChI=1/C9H9BrO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12)

Upstream product

• 619-64-7 p-ethylbenzoic acid 
• 10541-83-0 N-methyl-p-aminobenzoic acid 

Downstream Products

• 113642-05-0 methyl m-bromo-p-ethylbenzoate 
• 113642-07-2 2-bromo-4-carboxyacetophenone 
• 1373938-05-6 N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-ethylphenyl)pyrazin-2-yl)-2,6-difluorobenzamide 
• 1373939-88-8 3-(4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl)-5,5-dimethylisoxazol-4(5H)-one 
• 1421589-70-9 C₁₅H₂₁NO₃ 
• 1421589-69-6 C₁₅H₂₃NO₃ 
• 684249-28-3 3-cyano-4-ethyl-benzoic acid 
• 684249-27-2 methyl 3-cyano-4-ethyl-benzoate 
• 1421589-42-5 C₂₄H₂₇N₅O 
• 1421589-72-1 C₂₉H₃₅N₅O₃ 
• 113655-82-6 benzyl 2-chlorobenzocarbacephem-4'-carboxylate 
• 907584-59-2 benzyl 2-hydroxybenzocarbacephem.-4'-carboxylate 

Relevant academic research and scientific papers

Industrialized synthetic method for halogen benzoic acid derivative

The invention discloses an industrialized synthetic method for a halogen benzoic acid derivative. The formula (I) of the halogen benzoic acid derivative is shown in the description, wherein a plurality of Rs are alkyls of C1-C20, and a plurality of Xs are halogens; the industrialized synthetic method comprises the following steps that alkyl substituted benzoic acid and water are added into a reaction container, halogen simple substances are added, a heating reaction is performed, the reaction is complete, and post processing is performed to obtain the target product halogen benzoic acid derivative. According to the industrialized synthetic method for the halogen benzoic acid derivative, no solvent needs to be recycled, little consumption is consumed, little waste gas, water and industrialresidues are caused, and by-product haloid acid can be directly sold or used for producing other products; accordingly, the industrialized synthetic method for the halogen benzoic acid derivative is safe, environmentally friendly and low in cost, and therefore the wide industrial application prospect is achieved.

PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS

Embodiments of the present disclosure pertain to methods of detecting a thiol in an environment by exposing the environment to a probe molecule that contains a marker and a thiol responsive group. The thiol responsive group reversibly reacts with the thiol in the environment to form a probe-thiol adduct. This in turn causes a ratiometric change in a spectrometric property of the probe molecule and the probe-thiol adduct, which can then be correlated to the presence of the thiol in the environment. The correlation can occur by quantifying the thiol concentration in the environment. In addition, thiol detection can occur in real-time. Further embodiments of the present disclosure pertain to probe molecules that are utilized for detecting a thiol in an environment. In some embodiments, the probe molecule includes a marker and a thiol responsive group. In some embodiments, the probe molecule also includes an organelle targeting moiety.

Discovery and optimization of potent broad-spectrum arenavirus inhibitors derived from benzimidazole and related heterocycles

A series of potent arenavirus inhibitors sharing a benzimidazole core were previously reported by our group. SAR studies were expanded beyond the previous analysis, which involved the attached phenyl rings and methylamino linker portion, to include modifications focused on the benzimidazole core. These changes included the introduction of various substituents to the bicyclic benzimidazole ring system along with alternate core heterocycles. Many of the analogs containing alternate nitrogen-based bicyclic ring systems were found to retain antiviral potency compared to the benzimidazole series from which we derived our lead compound, ST-193. In fact, 21h, built on an imidazopyridine core, possessed a near tenfold increase in potency against Lassa virus pseudotypes compared to ST-193. As found with the benzimidazole series, broad-spectrum arenavirus activity was also observed for a number of the analogs discovered during this study.

Atroposelective radical aryl migration reactions from sulfur to carbon

The paper describes stereoselective radical aryl migration reactions from sulfur in sulfonates to aryl radicals for the synthesis of axially chiral biaryls. A chirality center in secondary benzylic sulfonates is used to diastereoselectively (atroposelectively) install a stereogenic axis via a 1,5 aryl migration reaction. Atroposelectivity has not been investigated in stereoselective radical chemistry before. Good yields (53-82%) but low selectivities (up to 2 to 1) were obtained.

KINASE INHIBITORS

The present invention relates to new AGC kinase inhibitors, in particular to compounds of Formula I, II, or III or a stereoisomer, tautomer, racemic, metabolite, pro- or predrug, salt, hydrate, or solvate thereof, I II III wherein X, R1, R2, R3, R31, n, and m have the meaning defined in the claims. In particular, the present invention relates more specifically to ROCK inhibitors, compositions, in particular pharmaceuticals, comprising such inhibitors, and to uses of such inhibitors in the treatment and prophylaxis of disease.

SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS

The present invention relates to novel piperazine and azepine derivatives having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of neurodegenerative disorders including Alzheimer's disease.

Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity

Compounds of formula (I) and pharmaceutically acceptable salts and solvates: where R1is hydrogen, C1-6alkyl (optionally substituted by hydroxy or C1-4alkoxy), phenyl-C1-4alkyl-, C1-6alkenyl, C1-6

Substituted isoquinoline derivatives and their use as anticonvulsivants

This invention relates to novel substituted isoquinoline derivatives and their use as anticonvulsants.

Anti-convulsant isoquinolyl-benzamide derivatives

Compounds of formula (I) and pharmaceutically acceptable salts thereof, where R1is hydrogen, C1-6alkyl (optionally substituted by hydroxy or C1-4alkoxy), C1-6alkenyl, C1-6alkynyl, C1-6alkylCO—, formyl, CF3CO— or C1-6alkylSO2—; R2is hydrogen or up to three substituents selected from halogen, NO2, CN, N3, CF3O—, CF3S—, CF3CO—, trifluoromethyldiazirinyl, C 1-6?alkyl, C1-6alkenyl, C1-6alkynyl, C1-6perfluoroalkyl, C3-6cycloalkyl, C3-6cycloalkyl-C1-4alkyl-, C1-6alkylO—, C1-6alkylCO—, C3-6cycloalkylO—, C3-6cycloalkylCO—, C3-6cycloalkyl-C1-4alkylO—, C3-6cycloalkyl-C1-4alkylCO—, phenyl, phenoxy, benzyloxy, benzoyl, phenyl-C1-4alkyl-, C1-6alkylS—, C1-6alkylSO2—, (C1-4alkyl)2NSO2—, (C1-4alkyl)NHSO2—, (C1-4alkyl)2NCO—, (C1-4alkyl)NHCO— or CONH2; or —NR5R6where R5is hydrogen or C1-4alkyl, and R6is hydrogen, C1-4alkyl, formyl, —CO2C1-4alkyl or —COC1-4alkyl; or two R2groups together form a carbocyclic ring that is saturated or unsaturated and unsubstituted or substituted by —OH or ═O; and the two R3groups and the two R4groups are each independently hydrogen or C1-6alkyl or the two R3groups and/or the two R4groups together form a C3-6spiroalkyl group provided that at least one R3and R4group is not hydrogen, are useful in the treatment and prophylaxis of epilepsy and other disorders.