Day: February 13, 2023

Global retention models and their application to the prediction of chromatographic fingerprints was written by Gisbert-Alonso, A.;Navarro-Huerta, J. A.;Torres-Lapasio, J. R.;Garcia-Alvarez-Coque, M. C.. And the article was included in Journal of Chromatography A in 2021.Quality Control of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

The resolution of samples containing unknown compounds of different nature, or without standards available, as is the case of chromatog. fingerprints, is still a challenge. Possibly, the most problematic aspect that prevents systematic method development is finding models that describe without bias the retention behavior of the compounds in the samples. In this work, the use of global models (able to describe the whole sample) is proposed as an alternative to the use of individual models for each solute. Global models contain parameters that are specific for each solute, while other parameters -related to the column and solvent- are common for all solutes. A special regression procedure is presented for the construction of global models, which are applied to predict highly complex chromatograms, such as chromatog. fingerprints, for diverse exptl. conditions in isocratic and gradient elution. Another interesting application is the prediction of mol. properties, such as log P_o/w, from the specific solute parameters of the global models. The examined adapted models are based on the equations proposed by Snyder, Schoenmakers, Neue and Kuss, Jandera, and Bosch Rose鑹?to describe the retention. In all cases, the predictive capability was very satisfactory. Two cases of study were considered: chromatograms of chamomile extracts analyzed using acetonitrile gradients, and a set of 145 known compounds in a wide range of structures and functionalities, eluted isocratically with acetonitrile/water mobile phases. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Quality Control of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives. A Cu-catalyzed and 4-HO-TEMPO-mediated [3 + 3] annulation of commercially available amidines with saturated ketones enables an efficient and facile synthesis of structurally important pyrimidines via a cascade reaction of oxidative dehydrogenation/annulation/oxidative aromatization.Quality Control of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Suzuki-Miyaura cross-coupling reaction of aryl and heteroaryl pinacol boronates for the synthesis of 2-substituted pyrimidines was written by Asano, Shigehiro;Kamioka, Seiji;Isobe, Yoshiaki. And the article was included in Tetrahedron in 2012.Computed Properties of C8H10ClN3O This article mentions the following:

Suzuki-Miyaura cross-coupling reaction with 2-heteroarylboronic acids is generally challenging due to easy decomposition of these acids. To overcome this problem, we developed a coupling method that uses 2-heteroaryl pinacol boronates in the presence of 1.0 mol % Pd(OAc)₂ and 2.0 mol % S-Phos with 4 equiv amount of LiOH in dioxane and H₂O at 80 鎺矯 for 30 min. This developed method allowed for the synthesis of a wide variety of 2-heteroaryl pyrimidines from 2-chloropyrimidyl derivatives in high yields, and is also useful in the preparation of various biaryl derivatives from heteroaryl chlorides. In the experiment, the researchers used many compounds, for example, 4-(2-Chloropyrimidin-4-yl)morpholine (cas: 62968-37-0Computed Properties of C8H10ClN3O).

4-(2-Chloropyrimidin-4-yl)morpholine (cas: 62968-37-0) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Computed Properties of C8H10ClN3O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Determination and occurrence of sulfonamide transformation products in surface waters was written by Cui, Hongyang;Chang, Hong;Zheng, Hongjin;Wan, Yi. And the article was included in Science of the Total Environment in 2021.Reference of 1220-83-3 This article mentions the following:

The transformation products of sulfonamides (SAs) have raised increasing environmental and health concerns in recent years, but information on their anal. and environmental fates remains limited. In this study, an anal. method using liquid chromatog. with tandem mass spectrometry (LC-MSMS) was optimized to simultaneously analyze 9 SA transformation products and 14 SAs in water samples. This method was applied to investigate the occurrence of antibiotics in three urban rivers in Beijing, and all of the target compounds were detected. N-acetylsulfamethoxazole, N-acetylsulfapyridine, and N-acetylsulfamethazine were found to be the predominant acetyl SAs in the aquatic environment, and high frequencies of hydroxylated SA (5-hydroxysulfapyridine) and glucuronide-conjugated SA (sulfamethoxazole 灏?D-glucuronide) were also detected. The SA transformation products accounted for 22-32% of the total concentrations of SAs and their transformation products in the water samples. The pollution levels of the compounds exerted only minor effects on the proportions of the SA transformation products. The compound-specific transformation of sulfamethoxazole, sulfapyridine, and sulfadiazine in the water samples was consistent with their acetylation efficiencies in metabolic processes in organisms, which suggests that the SA-acetylated products were derived mainly from biol. metabolism in humans or animals. This finding was supported by the fact that environmental degradation exerts a weak effect on SA profiles in the water samples. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Reference of 1220-83-3).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important class of natural and synthetic compounds exhibiting diverse useful biological activities that hold attractive potential for clinical translation as therapeutic agents in alleviation of a myriad of diseases. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Reference of 1220-83-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

N-CQDs from reed straw enriching charge over BiO_2-x/BiOCl p-n heterojunction for improved visible-light-driven photodegradation of organic pollutants was written by Qi, Kemin;Ye, Yuping;Wei, Bin;Li, Mengxin;Lun, Yanxin;Xie, Xiaoyun;Xie, Haijiao. And the article was included in Journal of Hazardous Materials in 2022.Recommanded Product: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

Green bismuth-based photocatalysts have attracted extensive attention in the field of PPCPs photodegradation The improved carrier separation efficiency still remains a key factor to enhance photocatalytic performance. Herein, N-doped biomass carbon quantum dots (N-CQDs) decorated p-n heterojunction photocatalyst BiO₂-x/BiOCl was prepared using a facile ion-etching strategy, and it displayed a markedly enhanced catalytic activity in the photodegradation of sulfonamide antibiotics. Calculated by the differential charge d., the doped N-CQDs could gather photogenerated electrons, which indicated that the introduction of N-CQDs into BiO₂-x/BiOCl would effectively inhibit the recombination of photogenerated charge carriers. In addition, photocatalytic performance and d. functional theory (DFT) calculation results revealed that the photogenerated electrons tended to transfer from p-BiOCl to n-BiO₂-x through N-CQDs, which could generate 璺疧₂^– and photogenerated h⁺ to oxidize the target pollutants. Benefiting from the synergistic effect of accelerated separation of e^–-h⁺ in p-n heterojunction and the electron-rich performance of N-CQDs, the superb TOC removal efficiencies (89.40% within 120 min visible-light irradiation) and toxicity reduction performance of photodegradation intermediates were achieved. As a consequence, this work will provide a design of high-quality photocatalysts and a green-promising strategy for bismuth-based photocatalysts in the water treatment of PPCPs. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Recommanded Product: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Recommanded Product: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

1-Aryl-3-[4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl]ureas as VEGFR-2 tyrosine kinase inhibitors: synthesis, biological evaluation, and molecular modelling studies was written by Soares, Pedro;Costa, Raquel;Froufe, Hugo J. C.;Calhelha, Ricardo C.;Peixoto, Daniela;Ferreira, Isabel C. F. R.;Abreu, Rui M. V.;Soares, Raquel;Queiroz, Maria-Joao R. P.. And the article was included in BioMed Research International in 2013.Category: pyrimidines This article mentions the following:

The vascular endothelial growth factor receptor-2 (VEGFR-2) is a tyrosine kinase receptor involved in the growth and differentiation of endothelial cells that are implicated in tumor-associated angiogenesis. In this study, novel 1-aryl-3-[4-(thieno[3,2-d]pyrimidin-4-yloxy)phenyl]ureas, e.g., I, were synthesized and evaluated for the VEGFR-2 tyrosine kinase inhibition. Three of these compounds showed good VEGFR-2 inhibition presenting low IC₅₀ values (150-199 nM) in enzymic assays, showing also a significant proliferation inhibition of VEGF-stimulated human umbilical vein endothelial cells (HUVECs) at low concentrations (0.5-1 娓璏), using the Bromodeoxyuridine (BrdU) assay, not affecting cell viability. The determination of the total and phosphorylated (active) VEGFR-2 was performed by western blot, and it was possible to conclude that the compounds significantly inhibit the phosphorylation of the receptor at 1 娓璏 pointing to their antiproliferative mechanism of action in HUVECs. The mol. rationale for inhibiting the tyrosine kinase domain of VEGFR-2 was also performed and discussed using mol. docking studies. In the experiment, the researchers used many compounds, for example, 4-Chloro-7-methylthieno[3,2-d]pyrimidine (cas: 175137-21-0Category: pyrimidines).

4-Chloro-7-methylthieno[3,2-d]pyrimidine (cas: 175137-21-0) belongs to pyrimidine derivatives. Pyrimidines are isomeric with two other forms of diazines: pyridazine, with the nitrogen atoms in the 1 and 2 positions; and pyrazine, with the nitrogen atoms in the 1 and 4 positions. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Solventless synthesis of the 2,2′-bipyrimidine derivatives was written by Cai, Chun;Lue, Chun-Xu. And the article was included in Yingyong Huaxue in 2004.Application In Synthesis of 2-Bromo-4,6-dimethylpyrimidine This article mentions the following:

A non-solvent synthesis procedure for the preparation of 2,2′-bipyrimidine, 4,4′,6,6′-tetramethyl-2,2′-bipyrimidine and 4,4′, 6,6′-tetraphenyl-2,2′-bipyrimidine in high yields was developed using fresh copper powder as catalyst. In the experiment, the researchers used many compounds, for example, 2-Bromo-4,6-dimethylpyrimidine (cas: 16879-39-3Application In Synthesis of 2-Bromo-4,6-dimethylpyrimidine).

2-Bromo-4,6-dimethylpyrimidine (cas: 16879-39-3) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Application In Synthesis of 2-Bromo-4,6-dimethylpyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

One-Pot Sequential Synthesis of 2-Amino-4,6-Diaryl Pyrimidines Involving SO₃H-Functionalized Piperazinium-Based Dicationic Ionic Liquids as Homogeneous Catalysts was written by Saikia, Susmita;Borah, Ruli. And the article was included in ChemistrySelect in 2019.Related Products of 40230-24-8 This article mentions the following:

A new series of -SO₃H functionalized dicationic ionic liquids based on N,N,N’,N’-tetrasulfopiperazinium cation [TSPi]⁺ and various anions [X]^– (X = Cl, CF₃SO₃, TsO) was synthesized. Bronsted acidity of these ionic liquids was determined by Hammett plot using UV-Visible absorbance spectra. Further, they were examined as acidic catalysts for one-pot preparation of 2-amino-4,6-diarylpyrimidines I [R = H, 2-HO, 4-Cl, 2,4-Cl₂, etc.] through Biginelli-like reaction of acetophenone, benzaldehydes and urea followed by a condensation-aromatization reaction with phenylhydrazine under solvent-free grinding method. The most acidic catalyst, [TSPi][CF₃SO₃]₂, offered good to satisfactory yield within 15-25 mins reaction time. Easy recyclability and simple and mild reaction conditions represented the advantages of this method. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Related Products of 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important class of natural and synthetic compounds exhibiting diverse useful biological activities that hold attractive potential for clinical translation as therapeutic agents in alleviation of a myriad of diseases. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Related Products of 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pteridines, LXIV. Synthesis and properties of thiolumazines was written by Southon, Ian W.;Pfleiderer, Wolfgang. And the article was included in Chemische Berichte in 1978.Application of 54030-56-7 This article mentions the following:

Thiolumazines I (R = Me, R¹ = H, Me, Ph, 2-pyridyl) were prepared in 82, 70, 50, and 8% yields by cyclizing diaminopyrimidine II with R¹COCOR¹. Cyclization of I (R = H, R¹ = H, Me, Ph) with Br(CH₂)_nBr (n = 2, 3) in aqueous N NaOH or DMF-K₂CO₃ gave preferentially, 44, 35, and 88% thiazolo- (III, R¹ = H, Me, Ph, n = 2) and 14 and 68% thiazinopteridines III (R¹ = H, Ph, n = 3), with the [3,2-a]isomers as minor products (thiazolopteridine IV was isolated in 5% yield). Stirring I (R = Me, R¹ = Me, Ph) with CH₂Br₂ and K₂CO₃ in DMF 4.5 h at 60鎺?gave 87 and 53% sulfide V (R¹ = Me, Ph; m = 1), whereas refluxing with THF 2 h gave 56 and 22% V (R¹ = Me, Ph; m = 0), 7% VI (R = R¹ = Me), and 11% pteridine VII. In the experiment, the researchers used many compounds, for example, 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7Application of 54030-56-7).

6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7) belongs to pyrimidine derivatives. The aromatic compound pyrimidine, and its derivatives, are ubiquitous in nature. They are found in nucleic acids, vitamins, amino acids, antibiotics, alkaloids, and a variety of toxins. Pyrimidine derivatives have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.Application of 54030-56-7

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pyrimidin-6-yl Trifluoroborate Salts as Versatile Templates for Heterocycle Synthesis was written by Cousins, David L.;Fricero, Prisca;Kopf, Kenji P. M.;McColl, Elliot J.;Czechtizky, Werngard;Lim, Yee Hwee;Harrity, Joseph P. A.. And the article was included in Angewandte Chemie, International Edition in 2021.Category: pyrimidines This article mentions the following:

We report a novel and general method to access a highly understudied privileged scaffold – pyrimidines bearing a trifluoroborate at C4 (e.g., I) and highlight the broad utility of these intermediates in a rich array of downstream functionalization reactions. This chem. is underpinned by the unique features of the trifluoroborate group; its robustness provides an opportunity to carry out chemoselective reactions at other positions on the pyrimidine while providing a pathway for elaboration at the C-B bond when suitably activated. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Category: pyrimidines).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Pyrimidines are isomeric with two other forms of diazines: pyridazine, with the nitrogen atoms in the 1 and 2 positions; and pyrazine, with the nitrogen atoms in the 1 and 4 positions. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

灏?Secretase (BACE1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer’s Disease was written by Hilpert, Hans;Guba, Wolfgang;Woltering, Thomas J.;Wostl, Wolfgang;Pinard, Emmanuel;Mauser, Harald;Mayweg, Alexander V.;Rogers-Evans, Mark;Humm, Roland;Krummenacher, Daniela;Muser, Thorsten;Schnider, Christian;Jacobsen, Helmut;Ozmen, Laurence;Bergadano, Alessandra;Banner, David W.;Hochstrasser, Remo;Kuglstatter, Andreas;David-Pierson, Pascale;Fischer, Holger;Polara, Alessandra;Narquizian, Robert. And the article was included in Journal of Medicinal Chemistry in 2013.Reference of 38275-61-5 This article mentions the following:

An extensive fluorine scan of 1,3-oxazines revealed the power of fluorine(s) to lower the pK_a and thereby dramatically change the pharmacol. profile of this class of BACE1 inhibitors. The CF₃ substituted oxazine 89, a potent and highly brain penetrant BACE1 inhibitor, was able to reduce significantly CSF A灏?0 and 42 in rats at oral doses as low as 1 mg/kg. The effect was long lasting, showing a significant reduction of A灏?0 and 42 even after 24 h. In contrast to 89, compound 1b lacking the CF₃ group was virtually inactive in vivo. In the experiment, the researchers used many compounds, for example, 5-Chloropyrimidine-2-carboxylic acid (cas: 38275-61-5Reference of 38275-61-5).

5-Chloropyrimidine-2-carboxylic acid (cas: 38275-61-5) belongs to pyrimidine derivatives. Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important class of natural and synthetic compounds exhibiting diverse useful biological activities that hold attractive potential for clinical translation as therapeutic agents in alleviation of a myriad of diseases. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Reference of 38275-61-5

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia