Month: March 2022

Mitchell, Brendan L.; Bhandari, Raj K.; Bebarta, Vikhyat S.; Rockwood, Gary A.; Boss, Gerry R.; Logue, Brian A. published the article 《Toxicokinetic profiles of α-ketoglutarate cyanohydrin, a cyanide detoxification product, following exposure to potassium cyanide》. Keywords: cyanide poisoning detoxification toxicokinetics alpha ketoglutarate cyanohydrin biomarker; Cyanide exposure; Toxicokinetics; α-Ketoglutarate; α-Ketoglutarate cyanohydrin; α-Kg; α-KgCN; α-ketoglutarate; α-ketoglutarate cyanohydrin.They researched the compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid( cas:2150-55-2 ).Recommanded Product: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:2150-55-2) here.

Poisoning by cyanide can be verified by anal. of the cyanide detoxification product, α-ketoglutarate cyanohydrin (α-KgCN), which is produced from the reaction of cyanide and endogenous α-ketoglutarate. Although α-KgCN can potentially be used to verify cyanide exposure, limited toxicokinetic data in cyanide-poisoned animals are available. The authors, therefore, studied the toxicokinetics of α-KgCN and compared its behavior to other cyanide metabolites, thiocyanate and 2-amino-2-thiazoline-4-carboxylic acid (ATCA), in the plasma of 31 Yorkshire pigs that received KCN (4 mg/mL) i.v. (IV) (0.17 mg/kg/min). α-KgCN concentrations rose rapidly during KCN administration until the onset of apnea, and then decreased over time in all groups with a half-life of 15 min. The maximum concentrations of α-KgCN and cyanide were 2.35 and 30.18 μM, resp., suggesting that only a small fraction of the administered cyanide is converted to α-KgCN. Although this is the case, the α-KgCN concentration increased >100-fold over endogenous concentrations compared to only a three-fold increase for cyanide and ATCA. The plasma profile of α-KgCN was similar to that of cyanide, ATCA, and thiocyanate. The results of this study suggest that the use of α-KgCN as a biomarker for cyanide exposure is best suited immediately following exposure for instances of acute, high-dose cyanide poisoning.

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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 Synthesis of 2-guanidinyl pyridines and their trypsin inhibition and docking, published in 2020-08-15, which mentions a compound: 591-54-8, mainly applied to guanidinylpyridine synthesis trypsin inhibition docking; safety allergic reaction aminomethoxymethylnicotinamide; Enzymology; Halogen bonding; Hydrogen bonding; Inhibitor; Molecular docking; Pyridin-2-yl guanidine; Serine protease, Recommanded Product: 4-Aminopyrimidine.

A range of guanidine-based pyridines, and related compounds, have been prepared (19 examples). These compounds were evaluated in relation to their competitive inhibition of bovine pancreatic trypsin. Results demonstrate that compounds in which the guanidinyl substituent can form an intramol. hydrogen bond (IMHB) with the pyridinyl nitrogen atom are better trypsin inhibitors than their counterparts that are unable to form an IMHB. Among the compounds 6a-p, examples containing a 5-halo substituent were, generally, found to be better trypsin inhibitors. This trend was inversely related to electronegativity, thus, 1-(5-iodopyridin-2-yl)guanidinium ion 6e (I.TFA) (Ki = 0.0151 mM) was the optimum inhibitor in the 5-halo series. Amongst the isomeric Me substituted compounds, 1-(3-methylpyridin-2-yl)guanidinium ion 6h (II.TFA) demonstrated optimum levels of trypsin inhibition (Ki = 0.0140 mM). In order to rationalize the measured enzyme inhibition, selected compounds were docked with bovine and human trypsin with a view to understanding active site occupancy and taken together with the Ki values the order of inhibitory ability suggests that the 5-halo 2-guanidinyl pyridine inhibitors form a halogen bond with the catalytically active serine hydroxy group. Safety: severe allergic reactions have been reported with 6-amino-N-methoxy-N-methylnicotinamide.

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Formula: C4H6N2O2S. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Determination of the cyanide metabolite 2-aminothiazoline-4-carboxylic acid in urine and plasma by gas chromatography-mass spectrometry. Author is Logue, Brian A.; Kirschten, Nicholas P.; Petrikovics, Ilona; Moser, Matthew A.; Rockwood, Gary A.; Baskin, Steven I..

The cyanide metabolite 2-aminothiazoline-4-carboxylic acid (ATCA) is a promising biomarker for cyanide exposure because of its stability and the limitations of direct determination of cyanide and more abundant cyanide metabolites. A simple, sensitive, and specific method based on derivatization and subsequent gas chromatog.-mass spectrometry (GC-MS) anal. was developed for the identification and quantification of ATCA in synthetic urine and swine plasma. The urine and plasma samples were spiked with an internal standard (ATCA-d2), diluted, and acidified. The resulting solution was subjected to solid phase extraction on a mixed-mode cation exchange column. After elution and evaporation of the solvent, a silylating agent was used to derivatize the ATCA. Quantification of the derivatized ATCA was accomplished on a gas chromatograph with a mass selective detector. The current method produced a coefficient of variation of less than 6% (intra- and interassay) for two sets of quality control (QC) standards and a detection limit of 25 ng/mL. The applicability of the method was evaluated by determination of elevated levels of ATCA in human urine of smokers in relation to non-smokers for both males and females.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Majo, Vattoly J.; Arango, Victoria; Simpson, Norman R.; Prabhakaran, Jaya; Kassir, Suham A.; Underwood, Mark D.; Bakalian, Mihran; Canoll, Peter; John Mann, J.; Dileep Kumar, J. S. researched the compound: 5-Amino-2-fluoropyridine( cas:1827-27-6 ).Name: 5-Amino-2-fluoropyridine.They published the article 《Synthesis and in vitro evaluation of [18F]BMS-754807: A potential PET ligand for IGF-1R》 about this compound( cas:1827-27-6 ) in Bioorganic & Medicinal Chemistry Letters. Keywords: cyclopropylpyrazolylaminopyrrolotriazinylfluoropyridinylmethylpyrrolidinecarboxamide BMS754807 preparation PET ligand radiosynthesis; IGF IR imaging glioblastoma breast cancer pancreatic tumor. We’ll tell you more about this compound (cas:1827-27-6).

Radiosynthesis and in vitro evaluation of [18F](S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide ([18F]BMS-754807 or [18F] I) a specific IGF-1R inhibitor was performed. [18F]I demonstrated specific binding in vitro to human cancer tissues. Synthesis of reference standard II(X= F) and corresponding bromo derivative II(X = X = Br), the precursor for radiolabeling were achieved from 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine in three steps with 50% overall yield. The radioproduct was obtained in 8% yield by reacting 1a with [18F]TBAF in DMSO at 170 °C at high radiochem. purity and specific activity (1-2 Ci/μmol, N = 10). The proof of concept of IGF-IR imaging with [18F]I was demonstrated by in vitro autoradiog. studies using pathol. identified surgically removed grade IV glioblastoma, breast cancer and pancreatic tumor tissues. These studies indicate that [18F]I can be a potential PET tracer for monitoring IGF-1R.

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Pyrazine – Wikipedia,
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Related Products of 591-54-8. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 4-Aminopyrimidine, is researched, Molecular C4H5N3, CAS is 591-54-8, about 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.

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

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Palmer, Brian D.; Denny, William A. researched the compound: 4-Bromo-1-methyl-2-nitro-1H-imidazole( cas:121816-79-3 ).Reference of 4-Bromo-1-methyl-2-nitro-1H-imidazole.They published the article 《Synthesis and reactions of brominated 2-nitroimidazoles》 about this compound( cas:121816-79-3 ) in Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999). Keywords: bromoimidazole; imidazole bromination. We’ll tell you more about this compound (cas:121816-79-3).

Imidazoles reacted with N-bromosuccinimide to give 4-bromo derivatives I (R1 = H, Me, CPh3; R2 = H, NO2, Me). 2-Nitroimidazole gave dibromo compound II as the only product. I (R1 = CPh3, R2 = H) was treated with BuLi, PrONO2, and HCl to give I (R1 = H, R2 = NO2).

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Name: Ethyl oxazole-5-carboxylate. 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: Ethyl oxazole-5-carboxylate, is researched, Molecular C6H7NO3, CAS is 118994-89-1, about The Kondrat’eva Reaction in Flow: Direct Access to Annulated Pyridines. Author is Lehmann, Johannes; Alzieu, Thibaut; Martin, Rainer E.; Britton, Robert.

A continuous flow inverse-electron-demand Kondrat’eva reaction has been developed that provides direct access to cycloalka[c]pyridines from unactivated oxazoles and cycloalkenes. The cycloadditions of both unactivated alkenes and deactivated oxazoles are promoted in continuous flow at elevated temperatures and pressures (230 °C, 750psi). E.g., reaction of 5-phenyloxazole and cyclopentene in presence of TFA gave 55% 4-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine (I). Annulated pyridines obtained by this one-step process are valuable scaffolds for medicinal chem.

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Reference:
Pyrazine – Wikipedia,
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Quality Control of 2-Amino-4,5-dihydrothiazole-4-carboxylic acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Enzymatic syntheses of L-cysteine by sodium alginate/gelatin co-immobilized Pseudomonas sp. B-3. Author is Wang, Pu; Yin, Jiangfeng; He, Junyao; Liang, Fayong.

The immobilization of Pseudomonas sp. B-3 by sodium alginate/gelatin mixed gel and the biosynthesis of L-cysteine from DL-2-amino-Δ2-thiazoline-4-carboxylic acid (DL-ATC) by immobilized cells were investigated. Suitable method for the immobilization of Pseudomonas sp. B-3 was selected by the comparison of eight immobilization methods. The influences of some key factors such as gel constitution, cells embedded and activation time on enzyme activity were optimized. Tween-60, N-carbamyl-L-cysteine amidohydrolase (L-NCC hydrolase) activator of Mn2+ and L-cysteine desulfhydrase inhibitor of hydroxylamine was added into reaction solution to improve L-cysteine productivity. Sodium alginate/gelatin co-immobilization showed both the highest enzyme activity and best gel strength. After 10 h activation for immobilized cells, the bioconversion was conducted at pH 8.0 and 42° for 10 h, 9.18 g/L-1 of L-cysteine was formed from 20 g/L-1 of DL-ATC/3H2O, with the molar conversion rate of 75.83%. An increase of 29.0% for L-cysteine production was obtained after catalyzed by immobilized cells in comparison with resting cells. After reused for four times, the relative molar conversion rate of L-cysteine remained 71.5% of the initial value. Sodium alginate/gelatin embedding method was suitable for immobilization of Pseudomonas sp. B-3. L-cysteine production was enhanced by the addition of Tween-60, Mn2+ and hydroxylamine hydrochloride in reaction solution

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Pyrazine – Wikipedia,
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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 591-54-8, is researched, Molecular C4H5N3, about Development of an Aryl Amination Catalyst with Broad Scope Guided by Consideration of Catalyst Stability, the main research direction is dialkylbiaryl monosphosphine ligand preparation amination coupling catalyst.Computed Properties of C4H5N3.

The authors have developed a new dialkylbiaryl monophosphine ligand, GPhos, that supports a palladium catalyst capable of promoting carbon-nitrogen cross-coupling reactions between a variety of primary amines and aryl halides; in many cases, these reactions can be carried out at room temperature The reaction development was guided by the idea that the productivity of catalysts employing BrettPhos-like ligands is limited by their lack of stability at room temperature Specifically, it was hypothesized that primary amine and N-heteroaromatic substrates can displace the phosphine ligand, leading to the formation of catalytically dormant palladium complexes that reactivate only upon heating. This notion was supported by the synthesis and kinetic study of a putative off-cycle Pd complex. Consideration of this off-cycle species, together with the identification of substrate classes that are not effectively coupled at room temperature using previous catalysts, led to the design of a new dialkylbiaryl monophosphine ligand. An Ot-Bu substituent was added ortho to the dialkylphosphino group of the ligand framework to improve the stability of the most active catalyst conformer. To offset the increased size of this substituent, the authors also removed the para i-Pr group of the non-phosphorus-containing ring, which allowed the catalyst to accommodate binding of even very large α-tertiary primary amine nucleophiles. In comparison to previous catalysts, the GPhos-supported catalyst exhibits better reactivity both under ambient conditions and at elevated temperatures Its use allows for the coupling of a range of amine nucleophiles, including (1) unhindered, (2) five-membered-ring N-heterocycle-containing, and (3) α-tertiary primary amines, each of which previously required a different catalyst to achieve optimal results.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Formula: C4H6N2O2S. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Microbial enzyme conversion of L-cysteine and L-cystine. Author is Liu, Zhong; Yang, Wenbo; Bai, Gang; Tian, Wang; Jin, Yongjie.

Pseudomonas sp. TS1138 isolated from soil samples was able to form L-cysteine from DL-2-Amiuo-δ2-Thiazoline-4-Carboxylic Acid (DL-ATC) after cultured 16 h. The optimum carbon and nitrogen sources of strain growth and enzyme formation are glucose and urea. This enzyme was induced by DL-ATC. The product was identified to be L-Cysteine based on thin layer chromatog., optical rotation and HPLC studies.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem