Month: January 2023

A fluorene-modified porphyrin for efficient dye-sensitized solar cells was written by Wu, Cheng-Hua;Pan, Tsung-Yu;Hong, Shang-Hao;Wang, Chin-Li;Kuo, Hshin-Hui;Chu, Yang-Yun;Diau, Eric Wei-Guang;Lin, Ching-Yao. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2012.Quality Control of 2-Ethynylpyrimidine This article mentions the following:

Porphyrins bearing a polyaromatic or a heterocyclic group are prepared to study their fundamental and photovoltaic properties. Solar cells sensitized with a fluorene-modified porphyrin outperform other dyes in the series, reaching �0% efficiency of N719 dye. In the experiment, the researchers used many compounds, for example, 2-Ethynylpyrimidine (cas: 37972-24-0Quality Control of 2-Ethynylpyrimidine).

2-Ethynylpyrimidine (cas: 37972-24-0) belongs to pyrimidine derivatives. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. As nucleotides in DNA and RNA, pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Quality Control of 2-Ethynylpyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Design and synthesis of quinoline-pyrimidine inspired hybrids as potential plasmodial inhibitors was written by Kayamba, Francis;Malimabe, Teboho;Ademola, Idowu Kehinde;Pooe, Ofentse Jacob;Kushwaha, Narva Deshwar;Mahlalela, Mavela;van Zyl, Robyn L.;Gordon, Michelle;Mudau, Pertunia T.;Zininga, Tawanda;Shonhai, Addmore;Nyamori, Vincent O.;Karpoormath, Rajshekhar. And the article was included in European Journal of Medicinal Chemistry in 2021.Reference of 40230-24-8 This article mentions the following:

A series of novel N-(7-chloroquinolin-4-yl)-N’-(4,6-diphenylpyrimidin-2-yl)alkanediamine hybrids I (R = Me, MeO, OH; R¹ = 4-Cl, 4-MeO, 4-OH, 3,4-(MeO)₂; 3,4-OH₂; n = 2, 3, 4) and II (R² = H, 4-Me, 4-MeO, 3,4-(MeO)₂, 4-OH; R³ = H, 4-Cl, 4-MeO, 4-OH, 3,4-(MeO)₂; 3,4-OH₂) was designed, synthesized, and evaluated for their inhibitory activity against the NF54 chloroquine-susceptible strain as a promising class of antimalarial compounds The antiplasmodial screening revealed that seven analogs showed promising to good activity with half-maximal inhibitory concentration (IC₅₀) = 0.32μM-4.30μM. Compound I (R = OH; R¹ = 4-OH; n = 4) (III) with 1,4-diamine Bu linker and 4-hydroxyl Ph on fourth and sixth position of pyrimidine core showed the most prominent activity with an IC₅₀ value of 0.32 ± 0.06μM, with a favorable safety profile of 9.79 to human kidney epithelial (HEK293) cells. The remaining six analogs showed moderate activity with IC₅₀ values ranging from 7.50μM to 83.01μM. Further, the binding affinities of the mols. to two essential cytosolic P. falciparum heat shock protein 70 homologues; PfHsp70-1 and PfHsp70-z were investigated. Compound (III) exhibited the highest binding affinity for both PfHsp70s with KD in a lower nanomolar range (4.4-11.4 nM). Furthermore, mol. docking revealed that compounds I (R = OH; R¹ = 3,4-OH₂; n = 4), II (R² = R³ = 4-MeO, 3,4-(MeO)₂) and (III) exhibited better fitness in PfHsp70-1 with compound (III) showing the highest and lowest binding scores of -9.8 kcal/mol. Therefore, it is speculated that PfHsp70-1 is one of the targets of these inhibitors. The bioisoteric replacement of the groups at Ph ring at the fourth and sixth position of the pyrimidine core had a constructive association with antiplasmodial activity. The promising antiplasmodial activity of the synthesized analogs illustrates how crucial mol. hybridization is as a strategy in the development of quinoline-pyrimidine hybrids as prospective antiprotozoal agents. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Reference of 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Reference of 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

A theoretical investigation on the reactivity of 6-amino-3-methylpyrimidin-4(3H)-ones towards DMAD. Tandem Diels-Alder retro Diels-Alder (DA/RDA) reaction was written by Cobo, Justo;Melguizo, Manuel;Nogueras, Manuel;Sanchez, Adolfo;Dobado, Jose A.;Nonella, Marco. And the article was included in Tetrahedron in 1996.COA of Formula: C6H9N3OS This article mentions the following:

The reactivity of 6-aminopyrimidin-4(3H)-ones towards DMAD is successfully explained by theor. investigation (PM3 semiempirical methods). All the PM3 results (activation energies (AE) for the transition states and the heat of formation (ΔH) for the products) support our previous exptl. work. In those reactions two main products were obtained: the pyridine derivatives as major ones, which are formed by a tandem DA/RDA reaction with extrusion of the Me isocyanate fragment; and 5-ethenylpyrimidin-4(3H)-ones as minor ones, which arose from a Michael addition, being in competition with the above normal DA. In the experiment, the researchers used many compounds, for example, 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7COA of Formula: C6H9N3OS).

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. As nucleotides in DNA and RNA, pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.COA of Formula: C6H9N3OS

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Development and evaluation of a semi-automatic single-step clean-up apparatus for rapid analysis of 18 antibiotics in fish samples was written by Mu, Shuhe;Teng, Tengwang;Zhou, Ruidong;Liu, Huan;Sun, Huiwu;Li, Jincheng. And the article was included in Journal of Food Composition and Analysis in 2022.Application In Synthesis of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

Here we report a novel semi-automatic pre-treatment apparatus to fulfill a single-step clean-up aim for rapid quantification of 18 antibiotics in fish samples. Trimethoprim and 17 sulfonamides were extracted from fish samples by acetonitrile solution based on ultrasonic-assisted extraction Cheap anal. filtration syringe (CAFS) clean-up column was used to fulfill single-step clean-up of the extract which was set on the developed semi-automatic clean-up apparatus This semi-automatic clean-up apparatus is quite convenient for single-step purification by precisely controlling the flow rate of the extracts, in which up to 10 samples can be purified in parallel at one time. The time needed to clean sample was only about 2 min per 10 samples. Type of compatible purification column ranged from 1 mL (inner diameter x length, 5.6 x 55 mm) to 12 mL (inner diameter x length, 15.6 x 83 mm). The apparatus also did not need addnl. gas source such as nitrogen or air. After purification, the analytes were simultaneously separated and quantified by high-performance liquid chromatog./quadrupole-linear ion trap tandem mass spectrometry (HPLC-QTRAP-MS/MS). The limits of detections ranged from 0.5 to 1.0μg kg-1, and the limits of quantifications ranged from 1.0 to 5.0μg kg-1. All the recoveries ranged from 81.39% to 116.01%. Intra-day and inter-day relative standard deviations (RSDs) were lower than 14% for all analytes. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Application In Synthesis 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 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. 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.Application In Synthesis of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole was written by Kolar, Michal;Hostas, Jiri;Hobza, Pavel. And the article was included in Physical Chemistry Chemical Physics in 2014.Recommanded Product: 16879-39-3 This article mentions the following:

The σ-holes of halogen atoms on various aromatic scaffolds were described in terms of their size and magnitude. The electrostatic potential maps at the CAM-B3LYP-D3(bj)/def2-QZVP level were calculated and the σ-holes of >100 aromatic analogs were thoroughly analyzed to relate the σ-holes to the binding preferences of the halogenated compounds Both the size and magnitude of the σ-hole increase when passing from chlorinated to iodinated analogs. Also, the σ-hole properties were studied upon chem. substitution of the aromatic ring as well as in the aromatic ring. Further, the angular variations of the interactions were studied on a selected set of halogenbenzene complexes with argon and hydrogen fluoride (HF). To analyze interaction energy components, DFT-SAPT angular scans were performed. The interaction energies of bromobenzene complexes were evaluated at the CCSD(T)/complete basis set level providing the benchmark energetic data. The strength of the halogen bond between halogenbenzenes and Ar atoms and HF mols. increases while its directionality decreases when passing from chlorine to iodine. The decrease of the directionality of the halogen bond is larger for a HF-containing complex and is caused by electrostatic and exchange-repulsion energies. These findings are especially valuable for protein-halogenated ligand-binding studies, applied in the realm of rational drug development and lead optimization. In the experiment, the researchers used many compounds, for example, 2-Bromo-4,6-dimethylpyrimidine (cas: 16879-39-3Recommanded Product: 16879-39-3).

2-Bromo-4,6-dimethylpyrimidine (cas: 16879-39-3) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Recommanded Product: 16879-39-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Non-target, suspect and target screening of chemicals of emerging concern in landfill leachates and groundwater in Guangzhou, South China was written by Han, Yu;Hu, Li-Xin;Liu, Ting;Liu, Jing;Wang, Yu-Qing;Zhao, Jia-Hui;Liu, You-Sheng;Zhao, Jian-Liang;Ying, Guang-Guo. And the article was included in Science of the Total Environment in 2022.HPLC of Formula: 1220-83-3 This article mentions the following:

Landfill sites have been regarded as a significant source of chems. of emerging concern (CECs) in groundwater. However, our understanding about the compositions of CECs in landfill leachate and adjacent groundwater is still very limited. Here we investigated the CECs in landfill leachates and groundwater of Guangzhou in South China by target, suspect and non-target anal. using high-resolution mass spectrometry (HRMS). A variety of CECs (n = 242), including pharmaceuticals (n = 64), pharmaceutical intermediates (n = 18), personal care products (n = 9), food additives (n = 18), industrial chems. (n = 82, e.g., flame retardants, plasticizers, antioxidants and catalysts), pesticides (n = 26), transformation products (n = 8) and other organic compounds (n = 17) were (tentatively) identified by non-target and suspect screening. 142 CECs were quantitated with target anal., and among them 37, 24 and 27 CECs were detected resp. in the raw leachate (272-1780μg/L), treated leachate (0.25-0.81μg/L) and groundwater (0.10-53.7μg/L). The CECs in the raw leachates were efficiently removed with the removal efficiencies greater than 88.7%. Acesulfame, bisphenol F and ketoprofen were the most abundant compounds in both treated leachate and groundwater. The CECs in groundwater was found most likely to be originated from the landfill sites. Our results highlight the importance of non-target screening in identifying CECs, and reveal the contamination risk of groundwater by landfill leachate. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3HPLC of Formula: 1220-83-3).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. Pyrimidine derivatives 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.HPLC of Formula: 1220-83-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Screening and Analysis of Multiclass Veterinary Drug Residues in Animal Source Foods using UPLC-Q-Exactive Orbitrap/MS was written by Zhao, Wentao;Jiang, Rui;Guo, Wenping;Guo, Chao;Li, Shilei;Wang, Juanqiang;Wang, Shouwei;Li, Yingying. And the article was included in Bulletin of Environmental Contamination and Toxicology in 2021.Synthetic Route of C11H12N4O3S This article mentions the following:

A rapid, simple, and sensitive method of detecting veterinary drug residues in animal food sources, including poultry and pork, was developed and validated. The method was optimized for over 155 veterinary drugs of 21 different classes. Sample pretreatment included a simple solid-liquid extraction step with 0.2% formic acid-acetonitrile-water and a purification step with a PRiME HLB (hydrophile-lipophile balance) solid-phase extraction cartridge. Data were collected using ultra-high-performance liquid chromatog. coupled to Quadrupole-Exactive Orbitrap mass spectrometry. The limits of detection of 155 veterinary drugs ranged from 0.1μg/kg to 10μg/kg. The recovery rates were between 79.2 and 118.5% in all matrixes studied, with relative standard deviation values less than 15% (n = 6). The evaluated method allows the reliable screening, quantification, and identification of 155 veterinary drug residues in animal source food and has been successfully applied in authentic samples. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Synthetic Route of C11H12N4O3S).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. 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.Synthetic Route of C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

A green approach for the synthesis of benzazolyl pyrimidinyl carbamothioates under ultrasonication and their antimicrobial activity was written by Kayathi, Narendra Babu;Panga, Siva Sankar;Adivireddy, Padmaja;Venkatapuram, Padmavathi. And the article was included in Journal of the Iranian Chemical Society in 2021.Application In Synthesis of 4,6-Diphenylpyrimidin-2-amine This article mentions the following:

A library of benzazolyl pyrimidinyl carbamothioates I [X = NH, S, O; R = H, Me, Cl, etc.] were prepared by the reaction of benzazolyl carbonothioates with pyrimidinyl-2-amine in the presence of an ionic liquid- 1-butyl-3-methylimidazolium hydroxide ([bmim]OH) under ultrasonication at a frequency of 35 kHz and tested for antimicrobial activity. Compounds I [X = NH, S; R = Cl, O₂N] displayed prominent antibacterial activity against Bacillus subtilis, while compounds I [X = NH, S; R = O₂N] showed excellent antifungal activity against Aspergilus niger. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Application In Synthesis of 4,6-Diphenylpyrimidin-2-amine).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. 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.Application In Synthesis of 4,6-Diphenylpyrimidin-2-amine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Probing ¹J(C-F) and ⁿJ(F-F) Spin-Spin Coupling Constants for Fluoroazines: An Ab Initio Theoretical Investigation was written by Del Bene, Janet E.;Alkorta, Ibon;Elguero, Jose. And the article was included in Journal of Physical Chemistry A in 2010.Electric Literature of C4HF3N2 This article mentions the following:

Ab initio equation-of-motion coupled cluster singles and doubles calculations have been carried out to evaluate one-bond C-F coupling constants ¹J(C-F) and three-, four-, and five-bond F-F coupling constants ⁿJ(F-F) for a series of mono-, di-, and trifluoroazines. The computed ¹J(C-F) and ⁿJ(F-F) values for these are in good agreement with available exptl. coupling constants The values of ¹J(C-F) vary as the number and positions of N atoms and the number and relative positions of C-F bonds change, but it is difficult to discern general patterns for these changes due to opposing effects of the Fermi contact and paramagnetic spin-orbit terms. The majority of ¹J(C-F) values lie in a range that includes the three monosubstituted pyridines. For trifluoroazines, ¹J(C-F) for a C-F bond that is ortho to two other C-F bonds is greater than ¹J(C-F) for the other two bonds. F-F coupling constants arise in these mols. when the two C-F bonds are ortho, meta, or para. Values of ³J(F-F) are relatively large and neg., whereas values of ⁵J(F-F) are relatively large and pos. ⁴J(F-F) may be pos. or neg. and large or small. The value of this coupling constant depends on the nature of the atom that links the two C-F bonds and the number and positions of N atoms in the ring. The calculations carried out in this study at a reliable level of theory give values for one-bond C-F and n-bond F-F spin-spin coupling constants for the fluoroazines that are not available exptl. In addition, the patterns that describe the changes that occur in these mols. provide a basis for predicting their values in larger, related systems in the absence of exptl. data and direct calculations In the experiment, the researchers used many compounds, for example, 4,5,6-Trifluoropyrimidine (cas: 17573-78-3Electric Literature of C4HF3N2).

4,5,6-Trifluoropyrimidine (cas: 17573-78-3) belongs to pyrimidine derivatives. The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives. 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.Electric Literature of C4HF3N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Solution-phase parallel synthesis of 4,6-diaryl-pyrimidine-2-ylamines and 2-amino-5,5-disubstituted-3,5-dihydro-imidazol-4-ones via a rearrangement was written by Varga, Laszlo;Nagy, Tamas;Kovesdi, Istvan;Benet-Buchholz, Jordi;Dorman, Gyorgy;Urge, Laszlo;Darvas, Ferenc. And the article was included in Tetrahedron in 2003.Application In Synthesis of 4,6-Diphenylpyrimidin-2-amine This article mentions the following:

The reaction of chalcones R¹COCH:CHR² [R¹, R² = Ph, 2-furyl, 2-thienyl, 4-FC₆H₄; R¹ = Ph, R² = 2-MeOC₆H₄, 4-MeOC₆H₄, 3,4-(MeO)₂C₆H₃; etc.] with guanidine was investigated in the presence of H₂O₂ as an oxidizing agent. Depending on the order of the addition, either 4,6-diarylpyrimidin-2-ylamine I or 2-amino-5,5-disubstituted-3,5-dihydroimidazol-4-one II was obtained. The structures of the imidazolinones II (R¹ = R² = Ph) and III were elucidated by NMR spectroscopy and X-ray crystallog. and a mechanism of its formation was proposed. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Application In Synthesis of 4,6-Diphenylpyrimidin-2-amine).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) 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. As nucleotides in DNA and RNA, pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Application In Synthesis of 4,6-Diphenylpyrimidin-2-amine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia