Day: October 13, 2022

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

In 2007,Kiselyov, Alexander S.; Milligan, Daniel; Ouyang, Xiaohu published 《Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates》.Bioorganic & Medicinal Chemistry Letters published the findings.Synthetic Route of C5H6N2O2 The information in the text is summarized as follows:

We have developed a series of novel potent 1-(2-(pyridin-4-yl)ethyl)-1H-azole-5-carboxamides active against kinases VEGFR-2 and -1. Both specific and dual ATP-competitive inhibitors of VEGFR-2 were identified. Kinase selectivity could be controlled by varying the 5-carboxamide substituent at the azole ring. The most specific mols. displayed >10-fold selectivity for VEGFR-2 over VEGFR-1. Compound activities in vitro and in cell-based assays (IC50 < 100 nM) were similar to those of reported clin. and development candidates, including PTK787 (Vatalanibtrade) and ZD6474 (Vandetanib). High permeability of active compounds across the Caco-2 cell monolayer (>40×10-5 cm/min) is indicative of their potential for intestinal absorption upon oral administration. In the part of experimental materials, we found many familiar compounds, such as Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Synthetic Route of C5H6N2O2)

Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Synthetic Route of C5H6N2O2

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

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

In 2017,Ziadi, Asraa; Uchida, Naoyuki; Kato, Hiroe; Hisamatsu, Rina; Sato, Ayato; Hagihara, Shinya; Itami, Kenichiro; Torii, Keiko U. published 《Discovery of synthetic small molecules that enhance the number of stomata: C-H functionalization chemistry for plant biology》.Chemical Communications (Cambridge, United Kingdom) published the findings.Safety of 3-(Trifluoromethyl)-1H-pyrazole The information in the text is summarized as follows:

The increasing climate changes and global warming are leading to colossal agricultural problems such as abatement of food production and quality. As stomatal development is considered to play a key role in crop plant productivity and water-use efficiency, studying stomatal development is useful for understanding the productivity of plant systems for both natural and agricultural systems. Here, we report the 1st-in-class synthetic small mols. enhancing the number of stomata in Arabidopsis thaliana that have been discovered by screening of the chem. library and further optimized by the Pd-catalyzed C-H arylation reaction. The present study shows not only huge potential of small mols. to control the cellular and developmental processes of stomata without using genetically modified plants, but also the power of C-H functionalization chem. to rapidly identify the optimized compounds In the experiment, the researchers used many compounds, for example, 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Safety of 3-(Trifluoromethyl)-1H-pyrazole)

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Safety of 3-(Trifluoromethyl)-1H-pyrazole

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

The author of 《An original class of small sized molecules as versatile fluorescent probes for cellular imaging》 were Sirbu, Doina; Diharce, Julien; Martinic, Ivana; Chopin, Nicolas; Eliseeva, Svetlana V.; Guillaumet, Gerald; Petoud, Stephane; Bonnet, Pascal; Suzenet, Franck. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. Synthetic Route of C4H3F3N2 The author mentioned the following in the article:

An unusual class, compact in size, of fluorescent probes based on pyridazino-1,3a,6a-triazapentalene scaffolds exhibits promising fluorescent properties (quantum yield values up to 73%, large Stokes shifts, emission wavelengths located in the green-yellow range, excellent solubility) with good photostability suitable for optical imaging applications. After reading the article, we found that the author used 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Synthetic Route of C4H3F3N2)

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Synthetic Route of C4H3F3N2

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

Application of 847818-74-0In 2015 ,《Discovery and Optimization of a Porcupine Inhibitor》 appeared in Journal of Medicinal Chemistry. The author of the article were Duraiswamy, Athisayamani Jeyaraj; Lee, May Ann; Madan, Babita; Ang, Shi Hua; Tan, Eldwin Sum Wai; Cheong, Wei Wen Vivien; Ke, Zhiyuan; Pendharkar, Vishal; Ding, Li Jun; Chew, Yun Shan; Manoharan, Vithya; Sangthongpitag, Kanda; Alam, Jenefer; Poulsen, Anders; Ho, Soo Yei; Virshup, David M.; Keller, Thomas H.. The article conveys some information:

Wnt proteins regulate various cellular functions and serve distinct roles in normal development throughout life. Wnt signaling is dysregulated in various diseases including cancers. Porcupine (PORCN) is a membrane-bound O-acyltransferase that palmitoleates the Wnts and hence is essential for their secretion and function. The inhibition of PORCN could serve as a therapeutic approach for the treatment of a number of Wnt-dependent cancers. Herein, the authors describe the identification of a Wnt secretion inhibitor from cellular high throughput screening. Classical SAR based cellular optimization provided us with a PORCN inhibitor I with nanomolar activity and excellent bioavailability that demonstrated efficacy in a Wnt-driven murine tumor model. Finally, the authors also discovered that enantiomeric PORCN inhibitors show very different activity in the reporter assay, suggesting that such compounds may be useful for mode of action studies on the PORCN O-acyltransferase. In the part of experimental materials, we found many familiar compounds, such as 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0Application of 847818-74-0)

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities. Application of 847818-74-0

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

Product Details of 847818-74-0In 2012 ,《Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Le Brazidec, Jean-Yves; Pasis, Angela; Tam, Betty; Boykin, Christina; Wang, Deping; Marcotte, Douglas J.; Claassen, Gisela; Chong, Jer-Hong; Chao, Jianhua; Fan, Junhua; Nguyen, Khanh; Silvian, Laura; Ling, Leona; Zhang, Lin; Choi, Michael; Teng, Min; Pathan, Nuzhat; Zhao, Shuo; Li, Tony; Taveras, Art. The article conveys some information:

This Letter reports the optimization of a pyrrolopyrimidine series as dual inhibitors of Aurora A/B kinases. This series is derived from a pyrazolopyrimidine series previously reported as inhibitors of aurora kinases and CDKs. In an effort to improve the selectivity of this chemotype, we switched to the pyrrolopyrimidine core which allowed functionalization on C-2. In addition, the modeling rationale was based on superimposing the structures of Aurora-A kinase and CDK2 which revealed enough differences leading to a path for selectivity improvement. The synthesis of the new series of pyrrolopyrimidine analogs relied on the development of a different route for the two key intermediates, which led to analogs with both tunable activity against CDK1 and maintained cell potency. The experimental process involved the reaction of 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0Product Details of 847818-74-0)

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, antipyretic, neuroleptic, anticonvulsant, antiarrhythmic, sedative, muscle relaxant, monoamine oxidase inhibitory, anti-inflammatory, antidiabetic and antibacterial activities. Product Details of 847818-74-0

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

Reference of (3-methyl-1H-pyrazol-5-yl)methanolOn September 15, 2009 ,《Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Heim-Riether, Alexander; Taylor, Steven J.; Liang, Shuang; Gao, Donghong Amy; Xiong, Zhaoming; Michael August, E.; Collins, Brandon K.; Farmer, Bennett T.; Haverty, Kathleen; Hill-Drzewi, Melissa; Junker, Hans-Dieter; Mariana Margarit, S.; Moss, Neil; Neumann, Thomas; Proudfoot, John R.; Keenan, Lana Smith; Sekul, Renate; Zhang, Qiang; Li, Jun; Farrow, Neil A.. The article contains the following contents:

Discovery and optimization of potency and selectivity of a non-Zn-chelating MMP-13 inhibitor with the aid of protein co-crystal structural information is reported. This inhibitor was observed to have a binding mode distinct from previously published MMP-13 inhibitors. Potency and selectivity were improved by extending the hit structure out from the active site into the S1′ pocket. In the experiment, the researchers used many compounds, for example, (3-methyl-1H-pyrazol-5-yl)methanol(cas: 29004-73-7Reference of (3-methyl-1H-pyrazol-5-yl)methanol)

(3-methyl-1H-pyrazol-5-yl)methanol(cas: 29004-73-7) 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. Reference of (3-methyl-1H-pyrazol-5-yl)methanol

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

Application In Synthesis of 1-MethylpyrazoleOn March 31, 2022, Wang, Zhaogai; Jiang, Pengfei; Zhao, Lili; Shi, Guanying; Le, Zhang; Wang, Xiaomin; Wang, Xuzeng; Zhu, Wenkui; Prinyawiwatkul, Witoon; Xu, Zhimin published an article in International Journal of Food Science and Technology. The article was 《Concentrating sulphur-containing flavour from Toona sinensis shoots using corn oil with and without aqueous dispersion》. The article mentions the following:

Toona sinensis (TS) shoot is a seasonal and quick deteriorating vegetable with unique alliaceous flavor. In this study, corn oil was used to concentration the sulfur-containing compounds responsible for the unique TS flavor with and without aq dispersion. The level of sulfur-containing compounds in TS shoots was 0.32μg g-1 and concentratio to 2.34μg g-1 in the corn oil with aq dispersion. The sulfur-containing compounds, trans-2-Mercapto-3,4-dimethyl-2,3-dihydrothiophene and (E,Z)-Di-1-propenyldisulfide, were identified in the corn oil, while they were not detected in the oil without aq dispersion. Based on sensory and electronic nose anal., the aroma of corn oil with aq medium extraction had stronger alliaceous aroma than TS shoots and the extraction corn oil without aq dispersion. With aq dispersion assistance, the sulfur-containing aroma compounds in TS shoots were effectively concentration in corn oil. The flavor-enriched oil could serve as a flavor ingredient to deliver TS shoots aroma for different food applications. In addition to this study using 1-Methylpyrazole, there are many other studies that have used 1-Methylpyrazole(cas: 930-36-9Application In Synthesis of 1-Methylpyrazole) 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 In Synthesis of 1-Methylpyrazole

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