Category: 217073-76-2

Williamson, Alice E. published the artcileOpen Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles, Quality Control of 217073-76-2, the main research area is arylpyrrole antimalarial malaria.

The development of new antimalarial compounds remains a pivotal part of the strategy for malaria elimination. Recent large-scale phenotypic screens have provided a wealth of potential starting points for hit-to-lead campaigns. One such public set is explored, employing an open source research mechanism in which all data and ideas were shared in real time, anyone was able to participate and patents were not sought. One chem. subseries was found to exhibit oral activity but contained a labile ester that could not be replaced without loss of activity, and the original hit exhibited remarkable sensitivity to minor structural change. A second subseries displayed high potency, including activity within gametocyte and liver stage assays, but at the cost of low solubility As an open source research project, unexplored avenues are clearly identified and may be explored further by the community; new findings may be cumulatively added to the present work.

ACS Central Science published new progress about Antimalarials. 217073-76-2 belongs to class pyrazoles-derivatives, name is 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, and the molecular formula is C11H9FN2O2, Quality Control of 217073-76-2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Yan, Bing published the artcileStructure-Dependent Response of a Chemiluminescence Nitrogen Detector for Organic Compounds with Adjacent Nitrogen Atoms Connected by a Single Bond, Safety of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, the main research area is HPLC chemiluminescence nitrogen detector structure dependent response; single bond connected adjacent nitrogen atom organic compound detector; pyrazole hydrazine triazole derivative HPLC chemiluminescence nitrogen detector; high throughput screening pyrazole hydrazine triazole derivative chemiluminescence detector.

High-throughput screening (HTS) of chem. libraries is indispensable for drug discovery research. However, the HTS data quality for lead discovery, lead optimization, and quant. structure activity relation studies was severely compromised due to the uncertain compound concentrations in screening plates. To address this issue, the authors compared various high-throughput technologies for quantification of compounds in microtiter plate format without the need for authentic compounds as standards and identified the chemiluminescence nitrogen detector (CLND) as the method of choice at the present time. However, the structure dependence of this detector was not well studied. A proposed rule suggested that the only exception to equimolar response is for compounds that contain adjacent nitrogen atoms. The response should be zero when the adjacent nitrogen atoms are connected by a double bond and 0.5 when they are connected by a single bond. The authors studied a broad range of compounds with isolated and adjacent nitrogen atoms. Compounds with isolated nitrogen atoms produce an equimolar response with a 15-20% variation depending on structures and compounds with adjacent nitrogen atoms connected by a double bond giving nearly zero response. The CLND response for compounds containing adjacent nitrogen atoms that are connected with a single bond is highly structure dependent. Substitutions on the nitrogen atoms or nearby in the mol. can increase the CLND response to approach a value higher than the predicted value 0.5 (maximal value 0.82/nitrogen atom). Without substitution, much lower values than predicted (minimal value 0.0-0.08/nitrogen atom) were obtained. Therefore, the prediction of response of 0.5/nitrogen atom for compounds with adjacent nitrogen atoms connected by a single bond should be abandoned. Compounds with similar structures should be used to generate calibration curves for quantification of this class of compounds

Analytical Chemistry published new progress about Chemiluminescence. 217073-76-2 belongs to class pyrazoles-derivatives, name is 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, and the molecular formula is C11H9FN2O2, Safety of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Alan X. published the artcileSynthesis and immunosuppressant activity of pyrazolecarboxamides, Quality Control of 217073-76-2, the main research area is pyrazolecarboxamide derivative preparation immunosuppressant activity.

A series of novel pyrazolecarboxamides, e.g., I, is disclosed that demonstrate strong immunosuppressant activity in rodent and human mixed leukocyte response (MLR) assays (IC50 <1 μM). The synthesis, biol. activity, mode of action, and pharmacokinetic properties of this new lead series are discussed. Bioorganic & Medicinal Chemistry Letters published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 217073-76-2 belongs to class pyrazoles-derivatives, name is 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, and the molecular formula is C11H9FN2O2, Quality Control of 217073-76-2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 217073-76-2, name is 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, A new synthetic method of this compound is introduced below., Safety of 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

To a suspension of 6-(2-amino-5-chlorothiazol-4-yl)-3,4-dihydroquinolin-2(1-H)-one (0.100 g, 0.41 mmol), 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid (0.0.99 g, 0.45 mmol), pyridine (0.15 mL, 1.83 mmol) in acetonitrile (4 mL) in a sealed tube was added propylphosphonic anhydride solution (50 wt % in ethyl acetate, 0.61 mL, 1.02 mmol). The sealed tube was heated to 100 C. for 16 h. After cooling, the precipitate was collected by filtration and washed with cold 1:1 acetonitrile/water to give 1-(4-fluorophenyl)-5-methyl-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)-1H-pyrazole-4-carboxamide (0.111 g, 61%). 1H NMR (400 MHz, DMSO-d): delta 12.43 (bs, 1H), 10.19 (s, 1H), 8.58 (s, 1H), 7.74 (m, 1H), 7.69 (dd, 1H, J=8.4, 2.0 Hz), 7.63 (m, 2H), 7.48 (s, 1H), 7.44 (m, 2H), 6.90 (d, 1H, J=8.0 Hz), 2.93 (t, 2H, J=7.2 Hz), 2.57 (s, 3H), 2.50 (partial masked under d-DMSO, in, 2H); MS (ESI): Calcd. For C23H18FN5O2S: 447 found 448 (M+1)+.

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Some common heterocyclic compound, 217073-76-2, name is 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, molecular formula is C11H9FN2O2, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. Recommanded Product: 217073-76-2

General procedure: To a solution of II (1-2 eq.) in dry DMF, dioxane or dichloromethane, particularly dry DMF (dimethylformamide) (3-10 ml) were added IV (1 mmol). HBTU (2-(lH-Benzotriazole-l-yl)- 1,1,3,3-Tetramethyluroniurn hexafluorophosphate) (1 -1.4 eq.), DIPEA (N,N- Diisopropylethylamine) (1-5 eq.) or triethylamine (5 eq.), particularly DIPEA, and optionally DMAP (4-Dimethylaminopyridine ) (0.1 eq.) were also added to the reaction mixture. The reaction temperature was usually in the range of from rt to 85 C, particularly rt. The reaction was usually allowed to process overnight (which as used herein specifies a duration of approximately between 12 and 24 h, depending on the reaction velocity). After completion of the reactions, the reaction solution was subjected to one or more after- treatments including: A) Extraction with organic solvents: The residue obtained from the reaction was dissolved in an organic solvent (such as ethyl acetate or dichloromethane) and was washed at least once with an aqueous 5% NaHC03, aqueous 5% citric acid and water. The organic layer was dried over magnesium sulfate and concentrated in vacuo. B) Chromatography: The crude product obtained from the reaction was purified by column chromatography on a silica gel flash column, by preparative TLC (thin layer chromatography) or preparative HPLC (high pressure liquid chromatography) with a defined eluent proportion. After completion of the reaction, the crude product was purified by siliga gel flash column chromatography (CHCl3/EtOH = 80:1 + 1 drop of HOAc). C) Recrystallization: The crude product was crystallized from ethanol (with activated carbon). D) Precipitation: After completion of the reaction, the reaction mixture was diluted with water, hexane or an aqueous Na2C03-solution and/or was poured into ice water and the formed precipitate was filtered off. E) Washing: The obtained solid (e.g. obtained by filtration) was washed with water, aqueous HC1 or Na2C03-solution and/or organic solvents. F) Suspending, followed by filtration: The crude product was suspended in Et20 (diethyether), filtered off and dried. G) Neutralization and recovery: After completion of the reaction, the solvent was evaporated in vacuo, water was added and the precipitate was formed. An aqueous 3% ammonia solution, or alternatively a sodium hydrogen carbonate solution was added to the suspension till pH = 8. After 30 min of stirring the precipitate was filtered off or the dissolved product was extracted

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 217073-76-2, its application will become more common.