Month: April 2022

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Chemical Sciences (Berlin, Germany) called Design, synthesis, molecular docking and cytotoxic activity of novel urea derivatives of 2-amino-3-carbomethoxythiophene, Author is Vikram, Venugopalarao; Penumutchu, Srinivasa R.; Vankayala, Raviraj; Thangudu, Suresh; Amperayani, Karteek Rao; Parimi, Umadevi, which mentions a compound: 591-54-8, SMILESS is C1=CN=CN=C1N, Molecular C4H5N3, COA of Formula: C4H5N3.

An efficient feasible route for the one-pot synthesis of novel series of urea derivatives (2a-2j) from 2-amino-3-carbomethoxythiophene (1) via in situ isocyanate has been developed, and their corresponding anticancer activities were accomplished. The series of urea derivatives were characterized by using 1H, 13C NMR and mass spectroscopic anal. The cytotoxic activities were evaluated against human cervical (HeLa) and human lung (NCI-H23) cancer cell lines. These studies revealed satisfactory activity for some of the compounds, which could potentially serve as lead compounds for drug discovery and development. Furthermore, mol. docking studies supported in identifying the potential binding sites between the urea derivatives and eukaryotic ribonucleotidereductase (RR). High ambiguity driven docking (HADDOCK) modeling was specifically employed to determine the model complex of RR and urea derivatives The proposed model has provided a deep insight into the mol. level interactions of RR-urea model complexes in understanding the exact pharmacophore for designing highly potent RR inhibitors. Overall, the present work has shed light in developing a feasible and robust approach for the synthesis of novel urea derivatives of 2-amino-3-carbomethoxythiophene and identified a part of mol. structure that is responsible for a specific biol. interaction leading to potential anticancer activities. Graphic abstract: We report herein, the exptl. design, synthesis and characterization of a novel series of urea derivatives of 2-amino-3carbomethoxythiophene with pyrimidine amine and benzyl amine analogs as both derivatives which exhibited potential antitumor activity via one pot synthesis and subsequently studied the structure activity relationships (SAR), and anticancer activities. The docking studies identified a part of molecularstructure that is responsible for a specific biol. interaction leading to the destruction of cancer cells.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Analytical Biochemistry called Analysis of the cyanide metabolite 2-aminothiazoline-4-carboxylic acid in urine by high-performance liquid chromatography, Author is Lundquist, Per; Kagedal, Bertil; Nilsson, Lennart; Rosling, Hans, which mentions a compound: 2150-55-2, SMILESS is O=C(C1N=C(N)SC1)O, Molecular C4H6N2O2S, Product Details of 2150-55-2.

The cyanide metabolite 2-aminothiazoline-4-carboxylic acid (ATC) was converted to N-carbamylcysteine and analyzed by high-performance liquid chromatog. (HPLC) and fluorometric detection. ATC was first separated from interfering substances by passing through the cation exchanger AG 50W-X8. Interfering disulfides were converted to thiols by reduction of the eluate with thiopropyl-Sepharose 6B. The thiols were then adsorbed to the organomercurial adsorbent p-acetoxymercurianiline-Sepharose 4B while ATC was obtained in the effluent. ATC was then converted to N-carbamylcysteine by ring opening at high temperature in an alk. environment. Derivatization of N-carbamylcysteine was with N-(7-dimethylamino-4-methyl-3-coumarinyl)maleimide. The imprecision (CV) of the method was 3.6% and the anal. recovery was quant. The detection limit was 0.3 μM. ATC in urine was stable for at least 3 mo when stored at -196 to +20 °C. The ATC concentration in urine was below the limit of detection in healthy nonsmokers. The utility of the method was demonstrated by the finding of up to 10.5 μM ATC concentrations in urine samples from human subjects in Mozambique living on a high dietary intake of cyanide from the cassava root. In a metabolic study rats were exposed to acetonitrile in the drinking water. After 4 wk very high ATC levels were found in the urine, representative values from two rats being 195 and 525 μM, resp.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

SDS of cas: 2150-55-2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Molecularly imprinted polymer stir bar sorption extraction and electrospray ionization tandem mass spectrometry for determination of 2-aminothiazoline-4-carboxylic acid as a marker for cyanide exposure in forensic urine analysis. Author is Jackson, Randy; Petrikovics, Ilona; Lai, Edward P. C.; Yu, Jorn C. C..

In forensic casework, a stable and quantifiable marker is desirable for the determination of cyanide poisoning in biol. fluids. 2-Aminothiazoline-4-carboxylic acid (ATCA) is a chem. stable urinary metabolite of cyanide that has been considered to be a reliable biol. marker for cyanide exposure. However, endogenous ATCA is always present in low quantity originating from either dietary intake of cyanide or from normal metabolism of amino acids. A selective and sensitive anal. method is needed to determine the endogenous level of ATCA in order to identify cyanide poisoning. The objective of this research was to prepare molecularly imprinted polymers (MIPs) on the surface of a silica stir bar for molecularly imprinted stir bar sorption extraction (MISBSE). Under optimal extraction conditions, the MISBSE could selectively preconc. ATCA from urine samples. The binding capacity of one MISBSE stir bar for ATCA was determined to be 35 ± 3 ng (n = 3). Combining MISBSE with electrospray ionization tandem mass spectrometry (ESI/MS/MS), ATCA was detected without derivatization at the 400 ng/mL concentration level. This new strategy of MISBSE-ESI/MS/MS enhanced the selectivity and sensitivity for the detection of ACTA in urine samples.

Although many compounds look similar to this compound(2150-55-2)SDS of cas: 2150-55-2, numerous studies have shown that this compound(SMILES:O=C(C1N=C(N)SC1)O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called 3-Phenylazopyridines, published in 1970, which mentions a compound: 1827-27-6, Name is 5-Amino-2-fluoropyridine, Molecular C5H5FN2, Formula: C5H5FN2.

Hydrogenation of 2-substituted I (X = NO2), under CO2, in MeOH with Pd/C gave I (X = NH2) (II) (method A). II were also prepared by reduction of I (X = NO2) with Fe dust in aqueous AcOH (method B). The II prepared were (R, method of preparation, and % yield given): Me, A, 95; SMe, A, 85; F, B, 70; Cl, B, 73.5; Br, B, 81; iodo, B, 86; MeO, A/B, 90.1/80.5; and AcNH, A/B, 90/70. A mixture of PhNO and II (R = MeO) kept 20 min in 50% aqueous NaOH gave III (R = OMe) (method A). In method B the above reaction was carried out at room temperature in AcOH. Similarly prepared were 7 other III analogs.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Recommanded Product: 4-Aminopyrimidine. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 4-Aminopyrimidine, is researched, Molecular C4H5N3, CAS is 591-54-8, about Reductive Amination Revisited: Reduction of Aldimines with Trichlorosilane Catalyzed by Dimethylformamide – Functional Groups Tolerance, Scope, and Limitations. Author is Popov, Kirill K.; Campbell, Joanna L. P.; Kysilka, Ondrej; Hosek, Jan; Davies, Christopher D.; Pour, Milan; Kocovsky, Pavel.

Aldimines R1CH2NHR2 (R1 = but-3-yn-1-yl, Ph, thiophen-2-yl, etc.; R2 = Bu, Bn, cyclohexyl, 5-methyl-1,3,4-thiadiazol-2-yl, etc.), generated in situ from aliphatic, aromatic, and heteroaromatic aldehydes R1CHO and aliphatic, aromatic, and heteroaromatic primary or secondary amines R2NH2, can be reduced with trichlorosilane in the presence of DMF (DMF) as an organocatalyst (≤10 mol%) in toluene or CH2Cl2 at room temperature The reduction tolerates ketone carbonyls, esters, amides, nitriles, sulfones, sulfonamides, NO2, SF5, and CF3 groups, boronic esters, azides, phosphine oxides, C=C and CC bonds, and ferrocenyl nucleus but sulfoxides and N-oxides are reduced. α,β-Unsaturated aldimines undergo 1,2-reduction only, leaving the C=C bond intact. N-Monoalkylation of primary amines is attained with a 1:1 aldehyde to amine ratio, whereas excess of the aldehyde (≥2:1) allows second alkylation, giving rise to tertiary amines. Reductive N-alkylation of α-amino acids proceeds without racemization; the resulting products, containing a CC bond or N3 group, are suitable for click chem. This reaction thus offers advantages over the traditional methods (borohydride reduction or catalytic hydrogenation) in terms of efficiency and chemoselectivity. Solubility of some of the reacting partners appears to be the only limitation. The byproducts generated by the workup with aqueous NaHCO3 (i.e., NaCl and silica) are environmentally benign. As a greener alternative, DMA can be employed as a catalyst instead of DMF.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 591-54-8, is researched, SMILESS is C1=CN=CN=C1N, Molecular C4H5N3Journal, Tetrahedron Letters called Bidentate geometry-constrained iminopyridyl nickel-catalyzed synthesis of amines or imines via borrowing hydrogen or dehydrogenative condensation, Author is Jiang, Yong; Hu, Miao; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun, the main research direction is secondary amine preparation; primary amine alc iminopyridyl nickel catalyst alkylation; imine preparation; alkyl amine alc iminopyridyl nickel catalyst dehydrogenative coupling reaction; bidentate geometry constrained iminopyridyl nickel catalyst preparation.SDS of cas: 591-54-8.

The efficient Ni-catalyzed N-alkylation of various anilines with alcs. via borrowing hydrogen was reported using a bidentate geometry-constrained iminopyridyl nickel complex as the catalyst. Substituted benzylic alcs. and short/long chain aliphatic alcs. could be applied as the alkylation sources to couple with aromatic and heteroaromatic amines to give a diverse set of N-alkylation outcomes in moderate to excellent yields. The nickel catalytic system was also suitable for aliphatic amines, selectively delivering the corresponding imines via an acceptorless dehydrogenative condensation strategy.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Application of 91912-53-7. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 3-(Pyridin-4-yl)-1H-pyrazol-5-amine, is researched, Molecular C8H8N4, CAS is 91912-53-7, about Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors. Author is Gopalsamy, Ariamala; Ciszewski, Greg; Shi, Mengxiao; Berger, Dan; Hu, Yongbo; Lee, Frederick; Feldberg, Larry; Frommer, Eileen; Kim, Steven; Collins, Karen; Wojciechowicz, Donald; Mallon, Robert.

Our continued effort towards optimization of the pyrazolo[1,5-a]pyrimidine scaffold as B-Raf kinase inhibitors is described. Structure guided design was utilized to introduce kinase hinge region interacting groups in the 2-position of the scaffold. This strategy led to the identification of lead compound 9 with enhanced enzyme and cellular potency, while maintaining good selectivity over a number of kinases.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Aromatic fluorine compounds. X. The 2,3- and 2,6-difluoropyridines》. Authors are Finger, G. C.; Starr, Laurence D.; Roe, Arthur; Link, William J..The article about the compound:5-Amino-2-fluoropyridinecas:1827-27-6,SMILESS:NC1=CN=C(C=C1)F).Recommanded Product: 5-Amino-2-fluoropyridine. Through the article, more information about this compound (cas:1827-27-6) is conveyed.

cf. CA 54, 6713i. The preparation of difluoropyridines by the Schiemann reaction was investigated. 2-Amino-6-fluoropyridine, necessary for the synthesis of 2,6-difluoropyridine by the Schiemann reaction, was conveniently prepared by the Curtius degradation of 6-fluoropicolinic hydrazide and by the Hofmann reaction on 6-fluoropicolinamide. Since an α-fluorine on a pyridine nucleus is preferentially replaced by hydrazine when it is either adjacent to or opposite a carbomethoxy group, the hydrazides necessary for the synthesis of 3-amino-2- and 6-fluoropyridine could not be prepared These amines were prepared from the appropriate 2-fluoropyridinecarboxamide by the Hofmann reaction. The preparation of difluoropyridines was successful with two of the aminofluoropyridines and led to the following new compounds: 2,3-difluoro- and 2,6-difluoropyridine.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Design and Synthesis of the Potent, Orally Available, Brain-Penetrable Arylpyrazole Class of Neuropeptide Y5 Receptor Antagonists, published in 2003-02-27, which mentions a compound: 91912-53-7, mainly applied to indancarboxamide arylpyrazolyl preparation neuropeptide Y5 receptor antagonist, Formula: C8H8N4.

Novel arylpyrazole derivatives were synthesized and evaluated as neuropeptide Y5 receptor antagonists. The 2,3-dihydro-1H-cyclopenta[a]naphthalene derivative I showed good binding affinity and antagonistic activity for the Y5 receptor. After intracerebroventricular administration in SD rats, (-)-I significantly inhibited food intake that was induced by the centrally administered Y5-preferring agonist, bovine pancreatic polypeptide, but had only a negligible effect on NPY-induced feeding.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid(SMILESS: O=C(C1N=C(N)SC1)O,cas:2150-55-2) is researched.Quality Control of 2-Amino-4,5-dihydrothiazole-4-carboxylic acid. The article 《Continuous L-cysteine production using immobilized cell reactors and product extractors》 in relation to this compound, is published in Process Biochemistry (Oxford). Let’s take a look at the latest research on this compound (cas:2150-55-2).

Methods to improve the stability of L-cysteine-producing enzymes from Pseudomonas sp. M-38, both as whole cells and as immobilized cells, were investigated for the production of L-cysteine from DL-2-amino-Δ2-thiazoline-4-carboxylic acid (DL-ATC). Among the 3 L-cysteine-producing enzymes, only L-ATC hydrolase was unstable. However, the stability of L-ATC hydrolase was significantly enhanced by the addition of 20% sorbitol. In continuous L-cysteine production, >60% of the initial activity of L-ATC hydrolase remained after 1000 h at 37° with 40% sorbitol and at 30° with 20% sorbitol. A system involving a cascade of processes using 2 packed-bed reactors with immobilized cells and 2 L-cysteine extractors with the ion-exchange resin Dowex 50W was developed to reduce product inhibition and unreacted substrate. The overall productivity of the system was 43% higher than for 2 reactors without an ion-exchange extractor.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem