Tag: 0-100

Application of 930-36-9On November 1, 2021 ,《Design, synthesis and biological evaluation of naphthalene-derived (arylalkyl)azoles containing heterocyclic linkers as new anticonvulsants: A comprehensive in silico, in vitro, and in vivo study》 appeared in European Journal of Pharmaceutical Sciences. The author of the article were Valipour, Mehdi; Naderi, Nima; Heidarli, Elmira; Shaki, Fatemeh; Motafeghi, Farzaneh; Talebpour Amiri, Fereshteh; Emami, Saeed; Irannejad, Hamid. The article conveys some information:

In continuation of our research to find strong and safe anticonvulsant agents, a number of (arylalkyl)azoles (AAAs) containing naphthylthiazole and naphthyloxazole scaffolds were designed and synthesized. The in vivo anticonvulsant evaluations in BALB/c mice revealed that some of them had significant anticonvulsant activity in both maximal electroshock (MES) and pentylenetetrazole (PTZ) models of epilepsy. The best profile of activity was observed with compounds containing imidazole and triazole rings (C1, C6, G1, and G6). In particular, imidazolylmethyl-thiazole C1 with median ED (ED50)= 7.9 mg/kg in the MES test, ED50= 27.9 mg/kg in PTZ test, and without any sign of neurotoxicity (in the rotarod test, 100 mg/kg) was the most promising compound The patch-clamp recording was performed to study the mechanism of action of the representative compound C1 on hippocampal dentate gyrus (DG) cells. The results did not confirm any modulatory effect of C1 on the voltage-gated ion channels (VGICs) or GABAA agonism, but suggested a significant reduction of excitatory postsynaptic currents (EPSCs) frequency on hippocampal DG neurons. Sub-acute toxicity studies revealed that administration of the most active compounds (C1, C6, G1, and G6) at 100 mg/kg bw/day for two weeks did not result in any mortality or significant toxicity as evaluated by assessment of biochem. markers such as lipid peroxidation, intracellular glutathione, total antioxidant capacity, histopathol. changes, and mitochondrial functions. Other pharmacol. aspects of compounds including mechanistic and ADME properties were investigated computationally and/or exptl. Mol. docking on the NMDA and AMPA targets suggested that the introduction of the heterocyclic ring in the middle of AAAs significantly affects the affinity of the compounds The obtained results totally demonstrated that the prototype compound C1 can be considered as a new lead for the development of anticonvulsant agents. In addition to this study using 1-Methylpyrazole, there are many other studies that have used 1-Methylpyrazole(cas: 930-36-9Application of 930-36-9) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Application of 930-36-9

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

Synthetic Route of C4H6N2On June 7, 2021, Alvarez, Eva Maria; Karl, Teresa; Berger, Florian; Torkowski, Luca; Ritter, Tobias published an article in Angewandte Chemie, International Edition. The article was 《Late-Stage Heteroarylation of Hetero(aryl)sulfonium Salts Activated by α-Amino Alkyl Radicals》. The article mentions the following:

We report a late-stage heteroarylation of aryl sulfonium salts through activation with α-amino alkyl radicals in a mechanistically distinct approach from previously reported halogen-atom transfer (XAT). The new mode of activation of aryl sulfonium salts proceeds in the absence of light and photoredox catalysts, engaging a wide range of heteroarenes. Furthermore, we demonstrate the applicability of this methodol. in synthetically useful cross-coupling transformations. In the experiment, the researchers used many compounds, for example, 1-Methylpyrazole(cas: 930-36-9Synthetic Route of C4H6N2)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Synthetic Route of C4H6N2

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

In 2021,Chemical Communications (Cambridge, United Kingdom) included an article by Hara, Naofumi; Uemura, Nao; Nakao, Yoshiaki. Quality Control of 1-Methylpyrazole. The article was titled 《C2-Selective silylation of pyridines by a rhodium-aluminum complex》. The information in the text is summarized as follows:

We have developed a C2-selective dehydrogenative mono-silylation of a variety of pyridines using a Rh-Al complex [(R2PCH2N-1,2-C6H4NMe-1,2-C6H4NCH2PR2)AlClRhCl(L)]n (R = Ph, iPr; n = 1, L = nbd; n = 2, L void). Both the site- and mono-selectivity are controlled via the pyridine coordination to the Lewis-acidic Al center prior to the activation of the pyridine C(2)-H bond at the proximal Rh center. A reaction mechanism is proposed based on several mechanistic studies, including the isolation of a (2-pyridyl)silylrhodium intermediate. In the experimental materials used by the author, we found 1-Methylpyrazole(cas: 930-36-9Quality Control of 1-Methylpyrazole)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Quality Control of 1-Methylpyrazole

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

《Toxicity of azoles towards the anaerobic ammonium oxidation (anammox) process》 was written by Lakhey, Nivrutti; Li, Guangbin; Sierra-Alvarez, Reyes; Field, Jim A.. Computed Properties of C4H6N2 And the article was included in Journal of Chemical Technology and Biotechnology on April 30 ,2020. The article conveys some information:

Azoles are an important class of compounds that are widely used as corrosion inhibitors in aircraft de-icing agents, cooling towers, semiconductor manufacturing and household dishwashing detergents. They also are important moieties in pharmaceutical drugs and fungicides. Azoles are widespread emerging contaminants occurring frequently in water bodies. Azole compounds can potentially cause inhibition towards key biol. processes in natural ecosystems and wastewater treatment processes. Of particular concern is the inhibition of azoles to the nitrification process (aerobic oxidation of ammonium). This study investigated the acute toxicity of azole compounds towards the anaerobic ammonia oxidation (anammox) process, which is an important environmental biotechnol. gaining traction for nutrient-nitrogen removal during wastewater treatment. In this study, using batch bioassay techniques, the anammox toxicity of eight commonly occurring azole compounds was evaluated. The results show that 1H-benzotriazole and 5-methyl-1H-benzotriazole had the highest inhibitory effect on the anammox process, causing 50% decrease in anammox activity (IC50) at concentrations of 19.6 and 17.8 mg L-1, resp. 1H-imidazole caused less severe toxicity with an IC50 of 79.4 mg L-1. The other azole compounds were either nontoxic (1H-pyrazole, 1H-1,2,4-triazole and 1-methyl-pyrazole) or at best mildly toxic (1H-benzotriazole-5-carboxylic acid and 3,5-dimethyl-1H-pyrazole) towards the anammox bacteria at the concentrations tested. This study showed that most azole compounds tested displayed mild to low or no toxicity towards the anammox bacteria. The anammox bacteria were found to be far less sensitive to azoles compared to nitrifying bacteria.1-Methylpyrazole(cas: 930-36-9Computed Properties of C4H6N2) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Computed Properties of C4H6N2

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

The author of 《Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds》 were de Oliveira, Marcelo T.; Alves, Julia M. A.; de A. Morais, Sara F.; Braga, Ataualpa A. C.. And the article was published in ARKIVOC (Gainesville, FL, United States) in 2020. SDS of cas: 930-36-9 The author mentioned the following in the article:

Building on recent developments, we compare performance of two distinct protocols, namely SMD-mPW1PW91/6-311+G(2d,p) and CPCM-OLYP/pcSseg-2, for the computation of 15N chem. shifts of nitrogenated aromatic compounds The latter shows best overall performance (MAD 5.3 ppm) albeit results in chloroform favors the former. The experimental process involved the reaction of 1-Methylpyrazole(cas: 930-36-9SDS of cas: 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. SDS of cas: 930-36-9

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

Product Details of 930-36-9On May 31, 2022, Zhakupbekova, Aray; Baimatova, Nassiba; Psillakis, Elefteria; Kenessov, Bulat published an article in Environmental Science and Pollution Research. The article was 《Quantification of trace transformation products of rocket fuel unsymmetrical dimethylhydrazine in sand using vacuum-assisted headspace solid-phase microextraction》. The article mentions the following:

Quantification of unsym. dimethylhydrazine transformation products in solid samples is an important stage in monitoring of environmental pollution caused by heavy rockets launches. The new method for simultaneous quantification of unsym. dimethylhydrazine transformation products in sand samples using vacuum-assisted headspace solid-phase microextraction without addition of water followed by gas chromatog.-mass spectrometry is proposed. Decreasing air evacuation time from 120 to 20 s at 23°C resulted in increased responses of analytes by 25-46% and allowed obtaining similar responses as after evacuation at -30°C. The best combination of responses of analytes and their relative standard deviations (RSDs) was achieved after air evacuation of a sample (m = 1.00 g) for 20 s at 23°C, incubation for 30 min at 40°C, and 30-min extraction at 40°C by Carboxen/polydimethylsiloxane (Car/PDMS) fiber. The method was validated in terms of linearity (R2=0.9912-0.9938), limits of detection (0.035 to 3.6 ng g-1), limits of quantification (0.12-12 ng g-1), recovery (84-97% with RSDs 1-11%), repeatability (RSDs 3-9%), and reproducibility (RSDs 7-11%). It has a number of major advantages over existing methods based on headspace solid-phase microextraction-lower detection limits, better accuracy and precision at similar or lower cost of sample preparation The developed method was successfully applied for studying losses of analytes from open vials with model sand spiked with unsym. dimethylhydrazine transformation products. It can be recommended for anal. of trace concentrations of unsym. dimethylhydrazine transformation products when studying their transformation, migration and distribution in contaminated sand. After reading the article, we found that the author used 1-Methylpyrazole(cas: 930-36-9Product Details of 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Product Details of 930-36-9

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

Product Details of 3310-35-8On May 31, 2001, Chmutova, G. A.; Kurbangalieva, A. R.; Vedernikov, A. N. published an article in Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii). The article was 《Quantum-chemical studies of the structure and reactivity of pyrazol-5-ones and their thio and seleno analogs: V. Effect of electron correlation on tautomerism and acidity of 1-methylheteropyrazolones》. The article mentions the following:

The relative stability of tautomeric forms of 1-methyl-substituted heteropyrazolones (O, S, Se) and their gas-phase acidity were estimated by DFT calculations with various basis sets and methods of geometry optimization. The electron correlation effects make an appreciable contribution to the Gibbs free energies of their tautomers and anions, especially those containing the heavy atoms. The qual. pattern of tautomerism in pyrazolones is essentially similar to that obtained by semiempirical and nonempirical RHF calculations: the most stable is the CH form. For hetero analogs, consideration of electron correlations effects increases the relative stability of SH (SeH) forms. The series of relative acidity of the compounds depending on the heteroatom is preserved (Se ≥ S >> O). The experimental part of the paper was very detailed, including the reaction process of 2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8Product Details of 3310-35-8)

2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Product Details of 3310-35-8

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

《Quantum-chemical study of the structure and reactivity of pyrazol-5-ones and their thio and seleno analogs. III. Semiempirical calculations of the structure and acid-base properties of 1-methyl-4H-pyrazol-5-one, -thione, and -selenone》 was written by Chmutova, G. A.; Kurbangalieva, A. R.; Kuznetsova, L. S.; Movchan, A. I.. Formula: C4H6N2O And the article was included in Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii) on August 31 ,1997. The article conveys some information:

Tautomerism and acid-base properties of 1-methyl-4H-pyrazol-5-one and its thio and seleno analogs were studied by the semiempirical quantum-chem. methods MNDO, AM1, and PM3. The CH form prevails in pyrazolone, whereas the EH forms (E = S, Se) prevail in hetero analogs. The calculations predict an increase in the gas-phase acidity in the series O < S < Se. The gas-phase basicity of these compounds does not change in such a regular manner. After reading the article, we found that the author used 2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8Formula: C4H6N2O)

2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Formula: C4H6N2O

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

The author of 《Analysis of bio-active compounds present in the leaves and stem of Trichosanthes roxb. using GC-MS technique with respect to its anti-inflammatory action》 were Aravindakshan, Aghil Soorya; Thangavel, Sekar. And the article was published in International Journal of Pharmacy and Pharmaceutical Sciences in 2021. Synthetic Route of C4H6N2 The author mentioned the following in the article:

Structural elucidation studies on Trichosanthes lobata Et acetate and methanol extracts of leaf and stem parts through Gas Chromatog.-Mass Spectrometry (GC-MS) technique with respect to anti-inflammatory potential. Extracts obtained with shade dried and powd. samples in successive solvent extraction using Et acetate and methanol by Soxhlet apparatus and subjected to GC-MS anal. and interpreted for its anti-inflammatory compounds The study revealed that the extraction solvent used was able to recover compound of classes such as organic acid esters and conjugated alkaloids in larger quantities than other classes of compounds and they varied with leaf and stem and also with the polarity of solvents used. In total compounds identified, GC-MS profile of the Et Acetate leaf extract of T. lobata contained 41 compounds, stem extract contained 45 compounds which have reported bioassays in PubChem. Whereas GC-MS profile of methanol leaf extract of T. lobata contained 66 compounds and stem extract contained 46 compounds having bioassay reports in PubChem. A large number of phytochem. peaks with good area percentage were found in methanolic extract We were also able to find out potent anti-inflammatory compounds including Octanoic acid, Dodecanoic acid, Octadecane, Enoic acid, Hexanoic acid, Quinazolin-8-one, Ilicic acid, Pentadecanoic acid, Oxaspiro, Benzeneacetic acid, etc. from the extracts T. lobata contains phytocompounds against inflammation which may serve as a new drug lead of natural products origin in future and make it employable in modern pharmacol. practices.1-Methylpyrazole(cas: 930-36-9Synthetic Route of C4H6N2) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Synthetic Route of C4H6N2

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

Synthetic Route of C4H6N2On March 31, 2020, Ivonin, Sergey P.; Rusanov, Eduard B.; Volochnyuk, Dmitriy M. published an article in Chemistry of Heterocyclic Compounds (New York, NY, United States). The article was 《Synthesis and oxidation of all isomeric 2-(pyrazolyl)ethanols》. The article mentions the following:

An efficient approach to the preparation of N-substituted 2-(pyrazol-4-yl)ethanols based on recyclization reaction of 3-(dimethoxymethyl)-2-methoxytetrahydrofuran with hydrazines was described. Oxidation by KMnO4 led to 2-(pyrazol-4-yl)-2-oxoacetic acids. In contrast, 2-(pyrazol-5-yl)ethanol under similar conditions gave only pyrazole-5-carboxylic acid, which formed as a result of oxidation followed by decarbonylation. Compound 2-(pyrazol-3-yl)ethanol in this oxidation reaction gave a mixture of 2-oxo-2-(pyrazol-3-yl)acetic acid and pyrazole-3-carboxylic acid. The experimental part of the paper was very detailed, including the reaction process of 1-Methylpyrazole(cas: 930-36-9Synthetic Route of C4H6N2)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Synthetic Route of C4H6N2

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