Month: April 2022

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: 2150-55-2, is researched, Molecular C4H6N2O2S, about Plasma persistence of 2-aminothiazoline-4-carboxylic acid in rat system determined by liquid chromatography tandem mass spectrometry, the main research direction is aminothiazoline carboxylate determination HPLC tandemMS blood forensic diagnostic biomarker.Application In Synthesis of 2-Amino-4,5-dihydrothiazole-4-carboxylic acid.

2-Aminothiazoline-4-carboxylic acid (ATCA) was i.v. injected to rats to investigate its blood plasma distribution. ATCA was extracted from plasma samples by solid phase extraction (SPE) and molecularly imprinted polymer stir bar sorption extraction (MIP-SBSE). Detection and quantification of ATCA were achieved by liquid chromatog.-tandem mass spectrometry (LC-MS/MS). It was found that the i.v. injected ATCA concentration quickly decreased to half within 2.5 h in the rat system. However, after 2.5 h, the concentration of ATCA in plasma stayed constant at least 5 folds above the endogenous ATCA level for more then 48 h. This finding can be used for evaluating ATCA’s diagnostic and forensic value as a biomarker for cyanide exposure.

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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 C4H5N3Preprint, ChemRxiv called Racemization-free synthesis of dipeptide, amide and ester by oxalyl chloride and catalytic triphenylphosphine oxide, Author is Ren, Ji-Wei; Tong, Meng-Nan; Zhao, Yu-Fen; Ni, Feng, the main research direction is dipeptide amide ester synthesis racemization steric hindrance functional group; peptide coupling amidation esterification triphenylphosphine oxide catalyst; amidation esterification reaction mechanism NMR.Application of 591-54-8.

An efficient triphenylphosphine oxide (Ph3PO) catalyzed amidation and esterification reaction for rapid synthesis of a series of dipeptides, amides and esters under mild condition is described. This reaction is applicable to challenging couplings of hindered carboxylic acid with low nucleophilic amine or alc., giving products in good yields (67-90%) without any racemization. This system employs highly reactive intermediate Ph3PCl2 as activator of carboxylate, in a catalytic manner, and drive the reaction to complete in short reaction time (less than 10 min). It has the advantages of good functional group tolerance, broad substrate scope and good atom-economy. A 100 mmol scale reaction with good yield shed light on its potential for industrial application. A plausible mechanism is proposed based on 31P NMR monitor of reaction process.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Huang, Huazhang; Nishi, Kosuke; Tsai, Hsing-Ju; Hammock, Bruce D. published an article about the compound: 5-Amino-2-fluoropyridine( cas:1827-27-6,SMILESS:NC1=CN=C(C=C1)F ).Application In Synthesis of 5-Amino-2-fluoropyridine. 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:1827-27-6) through the article.

Fatty acid amide hydrolase (FAAH) is a pharmaceutical target whose inhibition may lead to valuable therapeutics. Sensitive substrates for high-throughput assays are crucial for the rapid-screening FAAH inhibitors. Here we describe the development of novel and highly sensitive fluorescent assays for FAAH based on substituted aminopyridines. Examining the relationship between the structure and the fluorescence of substituted aminopyridines suggested that a methoxy group in the para position relative to the amino group in aminopyridines greatly increased the fluorescence (i.e., quantum yields approach unity). These novel fluorescent reporters had a high Stokes’ shift of 94 nm, and their fluorescence in buffer systems increased with pH values from neutral to basic. Fluorescent substrates with these reporters displayed a very low fluorescent background and high aqueous solubility Most importantly, fluorescent assays for FAAH based on these substrates were at least 25 times more sensitive than assays using related compounds with published colorimetric or fluorescent reporters. This property results in shorter assay times and decreased protein concentrations in the assays. Such sensitive assays will facilitate distinguishing the relative potency of powerful inhibitors of FAAH. When these fluorescent substrates were applied to human liver microsomes, results suggested that there was at least one amide hydrolase in addition to FAAH that could hydrolyze long-chain fatty acid amides. These results show that these fluorescent substrates are very valuable tools in FAAH activity assays including screening inhibitors by high-throughput assays instead of using the costly and labor-intensive radioactive ligands. Potential applications of novel fluorescent reporters are discussed.

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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 Towards Property Profiling: SYNTHESIS and SAR Probing of New Tetracyclic Diazaphenothiazine Analogues, published in 2021, which mentions a compound: 1827-27-6, mainly applied to lung breast cancer SAR anticancer tertiary phenothiazine quinoline; antibacterial activity; antiproliferative activity; azaphenothiazines; lipophilicity; pharmacophore mapping; phenothiazine; similarity-activity landscape index, Related Products of 1827-27-6.

A series of new tertiary phenothiazine derivatives containing a quinoline and a pyridine fragment was synthesized by the reaction of 1-methyl-3-benzoylthio-4-butylthioquinolinium chloride with 3-aminopyridine derivatives bearing various substituents on the pyridine ring. The direction and mechanism of the cyclization reaction of intermediates with the structure of 1-methyl-4-(3-pyridyl)aminoquinolinium-3-thiolate was related to the substituents in the 2- and 4-pyridine position. The structures of the compounds were analyzed using 1H, 13C NMR (COSY, HSQC, HMBC) and X-ray anal., resp. Moreover, the antiproliferative activity against tumor cells (A549, T47D, SNB-19) and a normal cell line (NHDF) was tested. The antibacterial screening of all the compounds was conducted against the reference and quality control strain Staphylococcus aureus ATCC 29213, three clin. isolates of methicillin-resistant S. aureus (MRSA). In silico computation of the intermol. similarity was performed using principal component anal. (PCA) and hierarchical clustering anal. (HCA) on the pool of structure/property-related descriptors calculated for the novel tetracyclic diazaphenothiazine derivatives The distance-oriented property evaluation was correlated with the exptl. anticancer activities and empirical lipophilicity as well. The quant. shape-based comparison was conducted using the CoMSA method in order to indicate the potentially valid steric, electronic and lipophilic properties. Finally, the numerical sampling of similarity-related activity landscape (SALI) provided a subtle picture of the SAR trends.

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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 Development of magnetic carbon nanotubes for dispersive micro solid phase extraction of the cyanide metabolite, 2-aminothiazoline-4-carboxylic acid, in biological samples, published in 2019-03-01, which mentions a compound: 2150-55-2, mainly applied to aminothiazoline carboxylic acid SPE magnetic carbon nanotube cyanide; 2-aminothiazoline-4-carboxylic acid; Cyanide biomarker; Magnetic carbon nanotubes facilitated dispersive micro solid phase extraction; Nanotechnology, Application of 2150-55-2.

2-Aminothiazoline-4-carboxylic acid (ATCA) is a minor metabolite of cyanide and is suggested to be a promising biomarker for cyanide exposure due to its specificity to cyanide metabolism and its excellent short- and long-term stability during storage. In this study, magnetic carbon nanotubes, including magnetic multi-walled carbon nanotubes (Mag-MWCNT) and magnetic single-walled carbon nanotubes (Mag-SWCNT) were synthesized as a novel sorbent for dispersive micro solid phase extraction (d-μSPE) to extract ATCA from biol. matrixes. ATCA spiked deionized water samples with the addition of the isotopic internal standard (ATCA – 13C, 15N) were subjected to Mag-CNT/d-μSPE to confirm extraction efficiency of this new technique. The extracted ATCA was derivatized and quantitated using gas chromatog./mass spectrometry (GC/MS) anal. The extraction parameters were optimized and a detection limits of 15 and 25 ng/mL were obtained for synthetic urine and bovine blood resp. with a linear dynamic range of 30-1000 ng/mL. The optimized Mag-CNT/d-μSPE method facilitated efficient extraction of ATCA using 2 mg of Mag-MWCNT with a 10-min extraction time. The current assay was also found to be effective for the extraction of ATCA with average recoveries of 97.7% and 96.5% from synthetic urine and bovine blood resp. The approach of using Mag-CNT to facilitate d-μSPE offered a novel alternative to extract ATCA from complex biol. matrixes.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Giebultowicz, Joanna; Sobiech, Monika; Ruzycka, Monika; Lulinski, Piotr published an article about the compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid( cas:2150-55-2,SMILESS:O=C(C1N=C(N)SC1)O ).Computed Properties of C4H6N2O2S. 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:2150-55-2) through the article.

The authors proposed an innovative hydrophilic interaction dispersive solid-phase extraction (HI-d-SPE) protocol suitable for the isolation of the potential cyanide intoxication marker, 2-aminothiazoline-4-carboxylic acid (ATCA), from such complicated matrix as post-mortem blood. To create an optimal HI-d-SPE protocol, two sorbents were used: a molecularly imprinted polymer (MIP) and com. available Oasis-MCX. The latter sorbent was identified as more recovery-efficient with higher clean-up abilities in a carefully optimized process. Computational anal. was employed to provide insight into the adsorption mechanism of the two selected sorbents. The theor. results were in agreement with the experiment regarding the efficiency of the sorbent. HI-d-SPE was successfully applied to the anal. of ATCA in 20 post-mortem blood samples using LC-MS/MS. The anal. performance of the method was finally compared to prior existing methods, in turn revealing its superiority.

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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 Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis, published in 2019-08-21, which mentions a compound: 591-54-8, mainly applied to palladium catalyzed hydroxycarbonylation heteroaryl halide DNA encoded library synthesis, HPLC of Formula: 591-54-8.

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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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Yu, Ming; Lizarzaburu, Mike; Motani, Alykhan; Fu, Zice; Du, Xiaohui; Liu, Jiwen; Jiao, Xianyun; Lai, SuJen; Fan, Peter; Fu, Angela; Liu, Qingxiang; Murakoshi, Michiko; Nara, Futoshi; Oda, Kozo; Okuyama, Ryo; Reagan, Jeff D.; Watanabe, Nobuaki; Yamazaki, Mami; Xiong, Yumei; Zhang, Ying; Zhuang, Run; Lin, Daniel C.-H.; Houze, Jonathan B.; Medina, Julio C.; Li, Leping published the article 《Aminopyrazole-Phenylalanine Based GPR142 Agonists: Discovery of Tool Compound and in Vivo Efficacy Studies》. Keywords: amrinone phenylalanine carboxylic acid preparation GPR142 agonist structure design; pharmacokinetics bioavailability diabetes amrinone phenylalanine carboxylic acid antidiabetic prodrug; glucose tolerance insulin secretagogue human islet transplant CYP450 hERG; GPR142 agonist; aminopyrazole−phenylalanine; human islet transplant; insulin secretagogue; oral glucose tolerance test; prodrug; type 2 diabetes.They researched the compound: 3-(Pyridin-4-yl)-1H-pyrazol-5-amine( cas:91912-53-7 ).Reference of 3-(Pyridin-4-yl)-1H-pyrazol-5-amine. 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:91912-53-7) here.

Herein, we report the lead optimization of amrinone-phenylalanine based GPR142 agonists. Structure-activity relationship studies led to the discovery of aminopyrazole-phenylalanine carboxylic acid I, which exhibited good agonistic activity, high target selectivity, desirable pharmacokinetic properties, and no cytochrome P 450 or hERG liability. Compound I, together with its orally bioavailable Et ester prodrug II, were found to be suitable for in vivo proof-of-concept studies. Compound II displayed good efficacy in a mouse oral glucose tolerance test (OGTT). CompoundI showed GPR142 dependent stimulation of insulin secretion in isolated mouse islets and demonstrated a statistically significant glucose lowering effect in a mouse model bearing transplanted human islets.

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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.Osano, Mana; Jhaveri, Dishit P.; Wipf, Peter researched the compound: Ethyl oxazole-5-carboxylate( cas:118994-89-1 ).Category: pyrazines.They published the article 《Formation of 6-Azaindoles by Intramolecular Diels-Alder Reaction of Oxazoles and Total Synthesis of Marinoquinoline A》 about this compound( cas:118994-89-1 ) in Organic Letters. Keywords: marinoquinoline total synthesis. We’ll tell you more about this compound (cas:118994-89-1).

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

Yang, Ke; Zhang, Cheng; Wang, Peng; Zhang, Yan; Ge, Haibo published an article about the compound: Ethyl oxazole-5-carboxylate( cas:118994-89-1,SMILESS:O=C(C1=CN=CO1)OCC ).Formula: C6H7NO3. 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:118994-89-1) through the article.

Nickel-catalyzed ligand-free decarboxylative cross-coupling of azole derivatives with α-oxoglyoxylic acids was developed. This work represents the first example of decarboxylative cross-coupling reactions, in a C-H bond functionalization manner, through nickel catalysis, and tolerates various functional groups. Addnl., this approach provides an efficient access to (ox)azole ketones, an important structural motif in many medicinal compounds with a broad range of biol. activities. © 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

There is still a lot of research devoted to this compound(SMILES：O=C(C1=CN=CO1)OCC)Formula: C6H7NO3, and with the development of science, more effects of this compound(118994-89-1) can be discovered.

Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem