Tag: 100-200

Quantitative structure-property relationship prediction of gas-to-chloroform partition coefficient using artificial neural network was written by Golmohammadi, Hassan;Safdari, Majid. And the article was included in Microchemical Journal in 2010.Application In Synthesis of Ethyl pyrazine-2-carboxylate This article mentions the following:

A quant. structure-property relationship (QSPR) study based on an artificial neural network (ANN) was carried out for the prediction of the gas-to-chloroform partition coefficients of a set of 338 compounds of a very different chem. nature. The genetic algorithm-partial least squares (GA-PLS) method was used as a variable selection tool. A PLS method was used to select the best descriptors and the selected descriptors were used as input neurons in neural network model. These descriptors are Gravitation index for all bonded pairs of atoms (G ²), Final heat of formation (ΔH _f), Total hybridization components of the mol. dipole (μ _h), DPSA-3 Difference in CPSAs (DPSA-3) and Structural Information content (order 1) (¹SIC). The results obtained showed the ability of developed artificial neural networks to predict of gas-to-chloroform partition coefficients of various compounds Also this demonstrates the advantages of ANN. In the experiment, the researchers used many compounds, for example, Ethyl pyrazine-2-carboxylate (cas: 6924-68-1Application In Synthesis of Ethyl pyrazine-2-carboxylate).

Ethyl pyrazine-2-carboxylate (cas: 6924-68-1) belongs to pyrazine derivatives. Pyrazine is an N-heterocyclic moiety, and it can be easily prepared from ethylenediamine and 1,2-diketone, α-hydroxyketone, α-methyl ketone. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging.Application In Synthesis of Ethyl pyrazine-2-carboxylate

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Modified synthesis of four kinds of azabicyclo compounds was written by Wang, Yu;Lu, Ming. And the article was included in Yingyong Huaxue in 2012.Related Products of 322-46-3 This article mentions the following:

Azabicyclo compounds of 1,4-benxodiazine, pyrido[2,3-b]pyrazine, 1H-benzimidazole, 3H-imidazo[4,5-b]pyridine were prepared from o-phenylenediamine or 2,3-diaminopyridine reacted with carbonyl compounds The effects of reaction medium, pH, time and other factors on the reactions were investigated. The results showed that the yield of pyrido[2,3-b]pyrazine could reach 89.4% when refluxed in propanol for 1 h at pH = 9 adjusted by methanol sodium. The yields for 1,4-benxodiazine could be increased to 98.3% in aqueous medium with pH = 9 adjusted by sodium sulfite at 60 °C after 40 min reaction. Here, the purification of target product could be achieved via a low temperature standing process instead of the vacuum distillation method. The optimized conditions for the other two compounds are: refluxing o-phenylenediamine for 2 h in 88% formic acid solution yielding 1H-benzimidazole with 92% yield; refluxing 2,3-diaminopyridine with triethoxy methane for 3 h followed by adding concentrated hydrochloric acid for another 1 h giving 3H-imidazo[4,5-b]pyridine with 84.2% yield. In the experiment, the researchers used many compounds, for example, Pyrido[2,3-b]pyrazine (cas: 322-46-3Related Products of 322-46-3).

Pyrido[2,3-b]pyrazine (cas: 322-46-3) belongs to pyrazine derivatives. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging. Pyrazine-based skeletons were incorporated into agents targeting a range of ailments. Many derivatives were synthesized and evaluated as potential cancer treatments.Related Products of 322-46-3

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

A colorimetric chemosensor for both fluoride and transition metal ions based on dipyrrolyl derivative was written by Ghosh, Tamal;Maiya, Bhaskar G.;Samanta, Anunay. And the article was included in Dalton Transactions in 2006.Reference of 322-46-3 This article mentions the following:

The synthesis, characterization and ion binding studies of 2,3-di(1H-2-pyrrolyl)pyrido[2,3-b]pyrazine (1) were described. Compound 1, which was targeted with a view to sensing both F^– and transition metal ions, exhibits binding-induced color changes from yellowish green to red/brown observable by the naked eye. The binding site for the metal ion in the system was unambiguously established by single-crystal x-ray diffraction study of a Ni(II) complex of 1. While the estimated value of the binding constant of 1 with F^– is 4.9 × 10³ M^-1, the binding constants for the cations are two orders higher in magnitude in acetonitrile. Even though 1 possesses two sep. binding sites for F^– and metal ions, the presence of the cation influences the binding of the anion and vice versa. The binding constant values of an ion in the presence of oppositely charged species are significantly lower. In the experiment, the researchers used many compounds, for example, Pyrido[2,3-b]pyrazine (cas: 322-46-3Reference of 322-46-3).

Pyrido[2,3-b]pyrazine (cas: 322-46-3) belongs to pyrazine derivatives. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging. Pyrazines undergo nearly all of the same reactions as pyrimidines, from nucleophilic substitution (SNAr) to palladium-catalyzed cross coupling reactions.Reference of 322-46-3

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Discovery of potential anticancer multi-targeted ligustrazine based cyclohexanone and oxime analogs overcoming the cancer multidrug resistance was written by Zha, Gao-Feng;Qin, Hua-Li;Youssif, Bahaa G. M.;Amjad, Muhammad Wahab;Raja, Maria Abdul Ghafoor;Abdelazeem, Ahmed H.;Bukhari, Syed Nasir Abbas. And the article was included in European Journal of Medicinal Chemistry in 2017.Formula: C8H12N2O This article mentions the following:

The drug research and development nowadays is focusing on multitarget drugs. In the treatment of cancer, therapies using drugs inhibiting one numerous targets signify a novel viewpoint. In comparison with traditional therapy, multitargeted drugs directly aim cell subpopulations which are involved in progression of tumor. The current study comprises the synthesis of 34 novel ligustrazine-containing α, β-unsaturated carbonyl-based compounds and oximes. The growth of 5 various cancer cell types was strongly inhibited by ligustrazine-containing oximes as revealed by biol. evaluation. A strong SAR was provided by the antiproliferative activity. The mechanistic effects of most active antiproliferative compounds on tubulin polymerization, EGFR TK kinases, KAF and BRAF^V600E were investigated, followed by in vitro investigation of reversal of efflux-based resistance developed by cancer cells. EGFR was strongly inhibited by two oximes I and II. Out of all linkers including pos. control, 1-isopropyl-piperidin-4-one linker-bearing compounds showed best inhibition of FAK. The strongest inhibitory activity of BRAF^V600E was showed by a compound with an IC₅₀ of 0.7 μM. Several analogs including I exhibited a dual role as anticancer as well as MDR reversal agents. For understanding the target protein integrations with new compounds, mol. docking studies were also carried out. In the experiment, the researchers used many compounds, for example, (3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3Formula: C8H12N2O).

(3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3) belongs to pyrazine derivatives. Pyrazine is an N-heterocyclic moiety, and it can be easily prepared from ethylenediamine and 1,2-diketone, α-hydroxyketone, α-methyl ketone. A number of pyrazine-based derivatives were used as dyes or fluorescent probes.Formula: C8H12N2O

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Quaternization of pyrido[2,3-b]pyrazines: proton and carbon-13 NMR study. was written by Chupakhin, O. N.;Charushin, V. N.;Chernyshev, A. I.;Esipov, S. E.. And the article was included in Magnetic Resonance in Chemistry in 1985.Recommanded Product: Pyrido[2,3-b]pyrazine This article mentions the following:

The structure of N-methylpyrido[2,3-b]pyrazinium salts was examined by ¹H and ¹³C NMR, 6-Dimethylamino- and 6-morpholino-pyrido[2,3-b]pyrazines undergo quaternization by Me iodide at N-4 of the pyrazine ring, whereas the pyridine ring N-5 was the N-alkylation site in the reaction of unsubstituted pyrido[2,3-b]pyrazine with Me iodide under the same conditions. The effects of quaternization on the ¹H and ¹³C chem. shifts and the J(CH) values are discussed. In the experiment, the researchers used many compounds, for example, Pyrido[2,3-b]pyrazine (cas: 322-46-3Recommanded Product: Pyrido[2,3-b]pyrazine).

Pyrido[2,3-b]pyrazine (cas: 322-46-3) belongs to pyrazine derivatives. Pyrazine derivatives have antitumor, antibiotic, anticonvulsant, antituberculous and diuretic effects as well as kinase, enzymatic and potent tubulin and FtsZ polymerization inhibitory activities. Substituted pyrazines have been found as subunits of multiple synthetically constructed therapeutic agents, as well as several natural products.Recommanded Product: Pyrido[2,3-b]pyrazine

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Interactions of heterocyclic Maillard products with the hepatic microsomal monooxygenase system was written by Hahnemann, B.;Legrum, W.;Koss, G.;Netter, K. J.. And the article was included in Xenobiotica in 1989.Quality Control of (3,5,6-Trimethylpyrazin-2-yl)methanol This article mentions the following:

Interactions of methyl-substituted pyrazines, and other constituents of Maillard products generated during heat treatment of food, with hepatic microsomal mixed-function oxygenases were studied in vitro. Spectral interactions of N-containing heteroaromatic compounds with the cytochrome P 450 system are type I or type II depending on the state of induction, and are relatively weak. Inhibition of 7-ethoxycourmarin O-deethylation by these compounds is ten times lower than that of metyrapone, agreeing with the weak spectral interaction. Inhibition is competitive for 2,3-dimethylquinoxaline, and complex for 2,5-dimethylpyrazine and 2,3,5,6-tetramethylpyrazine. Spectral and inhibitory interactions indicate biotransformation. This was studied with 2,3,5,6-tetramethylpyrazine; the metabolite formed was 2-hydroxymethyl-3,5,6-trimethylpyrazine. Metabolism to the N-oxide did not occur. In the experiment, the researchers used many compounds, for example, (3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3Quality Control of (3,5,6-Trimethylpyrazin-2-yl)methanol).

(3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3) belongs to pyrazine derivatives. Pyrazine is a symmetrical molecule with point group D2h. Pyrazine is less basic than pyridine, pyridazine and pyrimidine. Pyrazines undergo nearly all of the same reactions as pyrimidines, from nucleophilic substitution (SNAr) to palladium-catalyzed cross coupling reactions.Quality Control of (3,5,6-Trimethylpyrazin-2-yl)methanol

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

The preparation of novel ligustrazine derivatives as potential cerebrocardiac vascular agents was written by Cheng, Xian-chao;Liu, Xin-yong;Xu, Wen-fang. And the article was included in Journal of Chemical Research in 2006.Category: pyrazines This article mentions the following:

A series of novel substituted cinnamoylpiperazinyl ligustrazine derivatives was prepared by alkylation of cinnamoylpiperazines by (chloromethyl)trimethylpyrazine or by cinnamoylation of trimethyl(piperazinomethyl)pyrazine. In the experiment, the researchers used many compounds, for example, (3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3Category: pyrazines).

(3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3) belongs to pyrazine derivatives. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging.Category: pyrazines

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Identification, characterization, synthesis and quantification of related impurities of liguzinediol was written by Cheng, Dong;Zhou, Ying;Li, Wei;Shan, Chen-Xiao;Chai, Chuan;Cui, Xiao-Bing;Kang, Bi;Wang, Tian-Lin;Wen, Hong-Mei. And the article was included in Journal of Chromatographic Science in 2015.SDS of cas: 75907-74-3 This article mentions the following:

An HPLC method was employed to create an impurity profile for liguzinediol as an active pharmaceutical ingredient (API), which resulted in the identification of two related impurities. Therefore, in order to improve the quality control of the liguzinediol-API, we identified and then developed a method for quantifying the two impurities (impurity-1 and impurity-2) by LC-TOF-MS-MS and then chem. synthesized them for further studies. Based on spectral data from IR, MS, 1H and 13C NMR, the structures of impurity-1 and impurity-2 were characterized as 2-hydroxymethyl-3,6-dimethylpyrazine and 2-hydroxymethyl-3,5,6-trimethylpyrazine, resp. We further validated the method according to the International Conference on Harmonization guidelines to demonstrate the sensitivity, precision, linearity, accuracy and stability of the method described. In addition, the potential mechanisms underlying formation of impurity-1 and impurity-2 in the liguzinediol-API are discussed in detail. In the experiment, the researchers used many compounds, for example, (3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3SDS of cas: 75907-74-3).

(3,5,6-Trimethylpyrazin-2-yl)methanol (cas: 75907-74-3) belongs to pyrazine derivatives. Pyrazine is an N-heterocyclic moiety, and it can be easily prepared from ethylenediamine and 1,2-diketone, α-hydroxyketone, α-methyl ketone. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging.SDS of cas: 75907-74-3

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Instances of nonelectrolyte solvation leading to less pronounced rate enhancements of ester hydrolyses in dipolar aprotic solvents: the possibility of hydrolysis via conjugate base formation in the case of ethyl indole-2-carboxylate and methyl 4-pyridylacetate was written by Rao, G. Venkoba;Balakrishnan, M.;Venkatasubramanian, N.;Subramanian, P. V.;Subramanian, V.. And the article was included in Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) in 1978.Computed Properties of C7H8N2O2 This article mentions the following:

The kinetics of alk. hydrolysis of the heterocyclic esters I (RR¹ = benzo, X = NH; R = R¹ = H, X = O, S), II (R = CH₂CO₂Et, CO₂Et, R¹ = R² = H; R = R¹ = H, R² = CH₂CO₂Me, CO₂Et; R = R² = H, R¹ = CO₂Et, CH₂CO₂Et), III, BzOEt, and PhCH₂CO₂Et were studied in binary solvent mixtures of Me₂SO-H₂O and EtOH-H₂O. The rate data for I (RR¹ = benzo, X = NH) and II (R = R¹ = H, R² = CH₂CO₂Me) indicated the possibility of an E1cb route for their hydrolysis. The hydrolysis of heterocyclic esters constitute a unique case in which the rate enhancements of ester saponification on transfer from protic to dipolar aprotic solvents are governed by the solvation of the nonelectrolyte (ester) mol. by Me₂SO, a factor hitherto relegated to the background. In the experiment, the researchers used many compounds, for example, Ethyl pyrazine-2-carboxylate (cas: 6924-68-1Computed Properties of C7H8N2O2).

Ethyl pyrazine-2-carboxylate (cas: 6924-68-1) belongs to pyrazine derivatives. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging. Pyrazine and a variety of alkylpyrazines are flavor and aroma compounds found in baked and roasted goods. Tetramethylpyrazine (also known as ligustrazine) is reported to scavenge superoxide anion and decrease nitric oxide production in human Granulocytes.Computed Properties of C7H8N2O2

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Electron affinities of aza-substituted polycyclic aromatic hydrocarbons was written by Dillow, Glen W.;Kebarle, P.. And the article was included in Canadian Journal of Chemistry in 1989.Reference of 322-46-3 This article mentions the following:

Electron affinities (EA) for aza-substituted polycyclic aromatics, e.g., quinazoline, were determined from measurements of electron transfer equilibrium in the dilute gas phase with a pulsed electron high pressure mass spectrometer. Solvation energies of the corresponding radical anions in acetonitrile and DMF are derived from the gas-phase data and literature on electron reduction potentials in solution An observed linear relation between the electron affinities and the reduction potentials allows estimates of electron affinities to be made for 12 aza compounds whose EA’s are too low to be measured with the present method. In the experiment, the researchers used many compounds, for example, Pyrido[2,3-b]pyrazine (cas: 322-46-3Reference of 322-46-3).

Pyrido[2,3-b]pyrazine (cas: 322-46-3) belongs to pyrazine derivatives. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging. Pyrazine heterocycles and their benzo derivatives possess many interesting properties, including chemical reactivity profiles, and have diverse applications in total synthesis, medicine, chemical biology, materials, dyes, and imaging.Reference of 322-46-3

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem