Month: March 2022

Synthetic Route of C4H5N3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 4-Aminopyrimidine, is researched, Molecular C4H5N3, CAS is 591-54-8, about Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis. Author is Li, Jian-Yuan; Miklossy, Gabriella; Modukuri, Ram K.; Bohren, Kurt M.; Yu, Zhifeng; Palaniappan, Murugesan; Faver, John C.; Riehle, Kevin; Matzuk, Martin M.; Simmons, Nicholas.

A strategy for DNA-compatible, palladium-catalyzed hydroxycarbonylation of (hetero)aryl halides on DNA-chem. conjugates has been developed. This method generally provided the corresponding carboxylic acids in moderate to very good conversions for (hetero)aryl iodides and bromides, and in poor to moderate conversions for (hetero)aryl chlorides. These conditions were further validated by application within a DNA-encoded chem. library synthesis and subsequent discovery of enriched features from the library in selection experiments against two protein targets.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 4-Aminopyrimidine, is researched, Molecular C4H5N3, CAS is 591-54-8, about Structure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide.Recommanded Product: 591-54-8.

4-Hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13.11.27) has been recognized as one of the most promising targets in the field of herbicide innovation considering the severity of weed resistance currently. In a persistent effort to develop effective HPPD-inhibiting herbicides, a structure-guided strategy was carried out to perform the structural optimization for triketone-quinazoline-2,4-diones, a novel HPPD inhibitor scaffold first discovered in our laboratory Herein, starting from the crystal structure of Arabidopsis thaliana (At)HPPD complexed with 6-(2-hydroxy-6-oxocyclohex-1-ene-1-carbonyl)-1,5-dimethyl-3-(o-tolyl)quinazoline-2,4(1H,3H)-dione (MBQ), three subseries of quinazoline-2,4-dione derivatives were designed and prepared by optimizing the hydrophobic interactions between the side chain of the core structure at the R1 position and the hydrophobic pocket at the active site entrance of AtHPPD. 6-(2-Hydroxy-6-oxocyclohex-1-ene-1-carbonyl)-1,5-dimethyl-3-(3-(trimethylsilyl)prop-2-yn-1-yl)quinazoline-2,4(1H,3H)-dione (I) with the best inhibitory activity against AtHPPD was identified to be the first subnanomolar-range AtHPPD inhibitor (Ki = 0.86 nM), which significantly outperformed that of the lead compound MBQ (Ki = 8.2 nM). Further determination of the crystal structure of AtHPPD in complex with compound 60 (1.85 Å) and the binding energy calculation provided a mol. basis for the understanding of its high efficiency. Addnl., the greenhouse assay indicated that 6-(2-hydroxy-6-oxocyclohex-1-ene-1-carbonyl)-1,5-dimethyl-3-propylquinazoline-2,4(1H,3H)-dione (II) and compound I showed acceptable crop safety against peanut and good herbicidal activity with a broad spectrum. Moreover, compound II also showed superior selectivity for wheat at the dosage of 120 g ai/ha and favorable herbicidal efficacy toward the gramineous weeds at the dosage of as low as 30 g ai/ha. We believe that compounds II and I have promising prospects as new herbicide candidates for wheat and peanut fields.

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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.Bhattacharya, Rahul; Singh, Poonam; Palit, Meehir; Waghmare, Chandrakant; Singh, Anil Kumar; Gopalan, Natarajan; Kumar, Deo researched the compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid( cas:2150-55-2 ).COA of Formula: C4H6N2O2S.They published the article 《Time-dependent comparative evaluation of some important biomarkers of acute cyanide poisoning in rats: an aid in diagnosis》 about this compound( cas:2150-55-2 ) in Biomarkers. Keywords: forensic cyanide acute poisoning biomarker diagnosis. We’ll tell you more about this compound (cas:2150-55-2).

Objective: The study focuses on time-dependent comparative evaluation of various biomarkers of acute cyanide poisoning in rats. Methods: Blood gas (analyzer), lactate, pyruvate, cyanide, thiocyanate (spectrophotometer) and 2-amino-2-thiazoline-4-carboxylic acid (ATCA; gas chromatog.-mass spectrometry) in plasma or urine, and various physiol. parameters (polygraph) were measured. Results: Cyanide poisoning was characterized by elevated lactate, cyanide, thiocyanate and ATCA concentrations in plasma up to 15 min, 4, 16 and 24 h, resp., while high urinary thiocyanate and ATCA levels were measured between 4 and 24 h. Conclusion: ATCA concentration in plasma and urine was found to be more reliable indicator of cyanide poisoning.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Computed Properties of C4H6N2O2S. 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: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Two-Stage Cultivation of Pseudomonas sp. F12 for the Production of Enzymes Converting DL-2-Amino-Δ2-thiazoline-4-carboxylic Acid to L-Cysteine. Author is Fan, Cuili; Li, Zhimin; Ye, Qin.

Pseudomonas sp. F12 isolated from soil can transform DL-2-amino-Δ2-thiazoline-4-carboxylic acid (DL-ATC) to L-cysteine. It can grow in minimal medium containing DL-ATC as the sole carbon and nitrogen source, and the apparent activity of L-cysteine synthesis (CS) achieved 122 U/mL in a 5-L bioreactor. Pseudomonas sp. F12 can utilize glucose as carbon source and ammonia as nitrogen source for growth, but no CS activity was formed. To reduce the cost of DL-ATC, the cultivation process was divided into a growth stage on glucose and ammonia and a production stage induced by DL-ATC. The excessive glucose led to the production of byproduct(s) which seriously inhibited cell growth and CS production Ammonium was accumulated when DL-ATC was consumed, and ammonium did not inhibit CS activity formation until 60 mM. Based on the above features, fed-batch cultivation of the growth stage was developed by supplying glucose restrictively. The volumetric CS activity was enhanced more than two times that obtained under the initial conditions.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Formula: C4H6N2O2S. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about The potential use of 2-aminothiazoline-4-carboxylic acid (ATCA) as a forensic marker for cyanide exposure in medicolegal death investigation: A review.. Author is Li, S Y; Petrikovics, I; Yu, J.

Cyanide (CN) is one of the most toxic of all substances and can be found in various natural and anthropogenic sources. Sensitive and effective methods for the confirmation of CN exposure are crucial in medical, military, and forensic settings. Due to its high volatility and reactivity, direct detection of CN from postmortem samples could raise inconclusive interpretation issues that may hinder accurate determination of the cause of death. The detection of the alternative CN metabolites as markers to test CN exposure may offer a solution to reduce the potential for false-negative and false-positive results. 2-Aminothiazoline-4-carboxylic acid (ATCA) is a minor metabolite of CN and has been proposed to be a potential alternative forensic marker for the confirmation of CN exposure. According to the current state of knowledge, ATCA has not yet been associated with other metabolic pathways except for CN detoxification. Moreover, ATCA is stable under various conditions over time. This article reviews analytical methods developed for the analysis of ATCA as well as studies related to potential use of ATCA as a marker for the diagnosis of CN exposure. The need for research related to the use of ATCA as a reliable forensic marker for CN exposure in medicolegal death investigations is also discussed.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Synthetic Route of C6H7NO3. 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 Total synthesis of the potent antifungal agents bengazole C and E. Author is Enriquez-Garcia, Alvaro; Ley, Steven V..

The bengazoles are marine natural products with unique structure, containing two oxazole rings flanking a single carbon. They show very potent antifungal activity. The total syntheses of bengazole C and E are described following a convergent route which involves diastereoselective cycloaddition of an appropriately substituted nitrile oxide with a butane-1,2-diacetal-protected alkenediol as the key step.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Category: pyrazines. 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: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Optimization of fermentation conditions of microbial enzymatic synthesis of L-cysteine. Author is Kou, Guang-hui; Huai, Li-hua; Bai, Gang; Yang, Wen-bo.

Pseudomonas sp. TS1138 was used as the test strain to produce L-cysteine, and microbial enzymic synthesis of L-cysteine was studied. In the medium optimization, it was found that glucose and urea were the best carbon and nitrogen source for enzyme production, resp. Effect of DL-2-amino-Δ2-thiazoline-4-carboxylic acid (DL-ATC) on enzyme production was carried out, and the exptl. result showed that a initial concentration of 5 g/L DL-ATC was found to be optimal for enzyme production Effects of inoculum size, initial pH and liquid volume on enzyme production were investigated. The results indicated that the optimum inoculum size was 10%, and the optimum initial pH was 8.0. The optimum liquid volume was 40 mL culture medium in a 500 mL shaking flask.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Recommanded Product: 118994-89-1. 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 Formation of 6-Azaindoles by Intramolecular Diels-Alder Reaction of Oxazoles and Total Synthesis of Marinoquinoline A. Author is Osano, Mana; Jhaveri, Dishit P.; Wipf, Peter.

A new variant of the intramol. Diels-Alder oxazole (IMDAO) cycloaddition that provides direct access to 6-azaindoles was developed. The IMDAO reaction was applied in a total synthesis of the aminophenylpyrrole-derived alkaloid marinoquinoline A, also featuring the use of a Curtius reaction for preparation of a 5-aminooxazole, a propargylic C,H-bond insertion, an in situ alkyne-allene isomerization, and a ruthenium-catalyzed cycloisomerization for benzene ring annulation to the 6-azaindole.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Amino-2-fluoropyridine( cas:1827-27-6 ) is researched.Application of 1827-27-6.Boyer, David; Bauman, Jonathan N.; Walker, Daniel P.; Kapinos, Brendon; Karki, Kapil; Kalgutkar, Amit S. published the article 《Utility of MetaSite in improving metabolic stability of the neutral indomethacin amide derivative and selective cyclooxygenase-2 inhibitor 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-phenethyl-acetamide》 about this compound( cas:1827-27-6 ) in Drug Metabolism and Disposition. Keywords: NSAID indomethacin amide derivative indolacetamide preparation pharmacokinetics modeling. Let’s learn more about this compound (cas:1827-27-6).

Prediction of the metabolic sites for new compounds, synthesized or virtual, is important in the rational design of compounds with increased resistance to metabolism The aim of the present investigation was to use rational design together with MetaSite, an in silico tool for predicting metabolic soft spots, to synthesize compounds that retain their pharmacol. effects but are metabolically more stable in the presence of cytochrome P 450 enzymes. The model compound for these studies was the phenethyl amide (1) derivative of the nonsteroidal anti-inflammatory drug (NSAID) indomethacin. Unlike the parent NSAID, 1 is a potent and selective cyclooxygenase-2 (COX-2) inhibitor and nonulcerogenic anti-inflammatory agent in the rat. This pharmacol. benefit is offset by the finding that 1 is very unstable in rat and human microsomes because of extensive P 4503 A4/2D6-mediated metabolism on the phenethyl group, exptl. observations that were accurately predicted by MetaSite. The information was used to design analogs with polar (glycinyl) and/or electron-deficient (fluorophenyl, fluoropyridinyl) amide substituents to reduce metabolism in 1. MetaSite correctly predicted the metabolic shift from oxidation on the amide substituent to O-demethylation for these compounds, whereas rat and human microsomal stability studies and pharmacokinetic assessments in the rat confirmed that the design tactics for improving pharmacokinetic attributes of 1 had worked in our favor. In addition, the fluorophenyl and pyridinyl amide derivatives retained the potent and selective COX-2 inhibition demonstrated with 1. Overall, the predictions from MetaSite gave useful information leading to the design of new compounds with improved metabolic properties.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Huang, Pan; Le, Xiangyang; Huang, Fei; Yang, Jie; Yang, Haofeng; Ma, Junlong; Hu, Gaoyun; Li, Qianbin; Chen, Zhuo published an article about the compound: 4-Aminopyrimidine( cas:591-54-8,SMILESS:C1=CN=CN=C1N ).Name: 4-Aminopyrimidine. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:591-54-8) through the article.

Apcin is one of the few compounds that have been previously reported as a Cdc20 specific inhibitor, although Cdc20 is a very promising drug target. We reported here the design, synthesis, and biol. evaluations of 2,2,2-trichloro-1-aryl carbamate derivatives as Cdc20 inhibitors. Among these derivatives, compound 9f(I) was much more efficient than the pos. compound apcin in inhibiting cancer cell growth, but it had approx. the same binding affinity with apcin in SPR assays. It is possible that another mechanism of action might exist. Further evidence demonstrated that compound 9f also inhibited tubulin polymerization, disorganized the microtubule network, and blocked the cell cycle at the M phase with changes in the expression of cyclins. Thus, it induced apoptosis through the activation of caspase-3 and PARP. In addition, compound 9f inhibited cell migration and invasion in a concentration-dependent manner. These results provide guidance for developing the current series as potential new anticancer therapeutics.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem