Month: March 2022

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, 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.Synthetic Route of C4H6N2O2S.

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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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Formula: C4H6N2O2S. 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 Cloning, expression, characterization and application of atcA, atcB and atcC from Pseudomonas sp. for the production of L-cysteine. Author is Duan, Jingjing; Zhang, Qi; Zhao, Hongzhi; Du, Jun; Bai, Fang; Bai, Gang.

An isolate of a Pseudomonas sp. uses the L-NCC (N-carbamoyl-L-cysteine) pathway to convert DL-2-amino-Δ2-thiazoline-4-carboxylic acid (DL-ATC) to L-cysteine. Genes encoding ATC racemase (AtcA), L-ATC hydrolase (AtcB) and L-NCC amidohydrolase (AtcC), involved in this pathway, were cloned from the Pseudomonas sp. and expressed in Escherichia coli BL21 via pET-28a(+). The resulting enzymes were purified, their functions identified, and their biochem. properties are described. In vitro catalysis experiments, using these enzymes, revealed that the bioconversion rate of L-cysteine from DL-ATC in the presence of AtcA was more efficient than in the absence of AtcA. This is the first report describing simultaneous cloning and expression of atcA, atcB and atcC and characterization of their enzymes for L-cysteine production from DL-ATC via the L-NCC pathway, enabling the complete L-NCC pathway to be elucidated.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

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 Nanoscale, automated, high throughput synthesis and screening for the accelerated discovery of protein modifiers, the main research direction is protein modifier preparation combinatorial nanoscale; cyclic aromatic amidine aldehyde isocyanide Groebke Blackburn Bienayme reaction.Reference of 4-Aminopyrimidine.

Hit finding in early drug discovery is often based on high throughput screening (HTS) of existing and historical compound libraries, which can limit chem. diversity, is time-consuming, very costly, and environmentally not sustainable. On-the-fly compound synthesis and in situ screening in a highly miniaturized and automated format has the potential to greatly reduce the medicinal chem. environmental footprint. Here, acoustic dispensing technol. has been used to synthesize a library in a 1536 well format based on the Groebke-Blackburn-Bienayme’ reaction (GBB-3CR) on a nanomole scale. The unpurified library was screened by differential scanning fluorimetry (DSF) and cross-validated using microscale thermophoresis (MST) against the oncogenic protein-protein interaction menin-MLL. Several GBB reaction products were found as μM menin binder, and the structural basis of the interactions with menin was elucidated by co-crystal structure anal. Miniaturization and automation of the organic synthesis and screening process can lead to an acceleration in the early drug discovery process, which is an alternative to classical HTS and a step towards the paradigm of continuous manufacturing

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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: 1827-27-6, is researched, SMILESS is NC1=CN=C(C=C1)F, Molecular C5H5FN2Journal, Article, European Journal of Medicinal Chemistry called Discovery of 2-(4-(2-fluoroethoxy)piperidin-1-yl)-9-methyl-9H-pyrrolo[2,3-b:4,5-c’]dipyridine ([18F]PI-2014) as PET tracer for the detection of pathological aggregated tau in Alzheimer’s disease and other tauopathies, Author is Gabellieri, Emanuele; Capotosti, Francesca; Molette, Jerome; Sreenivasachary, Nampally; Mueller, Andre; Berndt, Mathias; Schieferstein, Hanno; Juergens, Tanja; Varisco, Yvan; Oden, Felix; Schmitt-Willich, Heribert; Hickman, David; Dinkelborg, Ludger; Stephens, Andrew; Pfeifer, Andrea; Kroth, Heiko, the main research direction is preparation radiofluorine PET tracer imaging tau Alzheimer’s tauopathy; Alzheimer disease; Fluorine-18; Neuroimaging; Positron emission tomography imaging; Tauopathies.SDS of cas: 1827-27-6.

The compound screening was initiated with a direct staining assay to identify compounds binding to Tau aggregates and not Abeta plaques using human brain sections derived from late stage Alzheimer’s disease donors. The binding of Tau aggregate selective compounds was then quant. assessed with human brain derived paired helical filaments utilizing the label-free Back Scattering Interferometry assay. In vivo biodistribution experiments of selected fluorine-18 labeled compounds were performed in mice to assess brain uptake, brain washout, and defluorination. Compound 11 emerged as the most promising candidate, displaying high in vitro binding affinity and selectivity to neurofibrillary tangles. Fluorine-18 labeled compound 11 showed high brain uptake and rapid washout from the mouse brain with no observed bone uptake. Furthermore, compound 11 was able to detect Tau aggregates in tauopathy brain sections from corticobasal degeneration, progressive supranuclear palsy, and Pick’s disease donors. Thus, 2-(4-(2-fluoroethoxy)piperidin-1-yl)-9-methyl-9H-pyrrolo[2,3-b:4,5-c’]dipyridine (PI-2014, compound 11) was selected for characterization in a first-in-human study.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Quality Control of 2-Amino-4,5-dihydrothiazole-4-carboxylic acid. 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. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Organ-distribution of the metabolite 2-aminothiazoline-4-carboxylic acid in a rat model following cyanide exposure.

The reaction of cyanide (CN-) with cystine to produce 2-aminothiazoline-4-carboxylic acid (ATCA) is one of the independent detoxification pathways of cyanide in biol. systems. In this report, in vivo production of ATCA and its distributions in plasma and organs were studied after a s.c. sublethal dose of 4 mg/kg body weight potassium cyanide (KCN) administration to rats. At this sublethal dose of KCN, ATCA concentration was not significantly increased in the plasma samples, however, it was found significantly increased in liver samples. These results suggested that ATCA might not be a good diagnostic biomarker in plasma for sublethal cyanide exposure; however, liver could serve as the right organ for the detection of ATCA in post-mortem examinations involving cyanide exposure in military, firefighting, industrial and forensic settings.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Computed Properties of C4H5N3. 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 Discovery of Potent, Selective, and State-Dependent NaV1.7 Inhibitors with Robust Oral Efficacy in Pain Models: Structure-Activity Relationship and Optimization of Chroman and Indane Aryl Sulfonamides. Author is Ramdas, Vidya; Talwar, Rashmi; Kanoje, Vijay; Loriya, Rajesh M.; Banerjee, Moloy; Patil, Pradeep; Joshi, Advait Arun; Datrange, Laxmikant; Das, Amit Kumar; Walke, Deepak Sahebrao; Kalhapure, Vaibhav; Khan, Talha; Gote, Ganesh; Dhayagude, Usha; Deshpande, Shreyas; Shaikh, Javed; Chaure, Ganesh; Pal, Ravindra R.; Parkale, Santosh; Suravase, Sachin; Bhoskar, Smita; Gupta, Rajesh V.; Kalia, Anil; Yeshodharan, Rajesh; Azhar, Mahammad; Daler, Jagadeesh; Mali, Vinod; Sharma, Geetika; Kishore, Amitesh; Vyawahare, Rupali; Agarwal, Gautam; Pareek, Himani; Budhe, Sagar; Nayak, Arun; Warude, Dnyaneshwar; Gupta, Praveen Kumar; Joshi, Parag; Joshi, Sneha; Darekar, Sagar; Pandey, Dilip; Wagh, Akshaya; Nigade, Prashant B.; Mehta, Maneesh; Patil, Vinod; Modi, Dipak; Pawar, Shashikant; Verma, Mahip; Singh, Minakshi; Das, Sudipto; Gundu, Jayasagar; Nemmani, Kumar; Bock, Mark G.; Sharma, Sharad; Bakhle, Dhananjay; Kamboj, Rajender Kumar; Palle, Venkata P..

Voltage-gated sodium channel NaV1.7 is a genetically validated target for pain. Identification of NaV1.7 inhibitors with all of the desired properties to develop as an oral therapeutic for pain has been a major challenge. Herein, we report systematic structure-activity relationship (SAR) studies carried out to identify novel sulfonamide derivatives as potent, selective, and state-dependent NaV1.7 inhibitors for pain. Scaffold hopping from benzoxazine to chroman and indane bicyclic system followed by thiazole replacement on sulfonamide led to identification of lead mols. with significant improvement in solubility, selectivity over NaV1.5, and CYP2C9 inhibition. The lead mols. 13, 29, 32, 43, and 51 showed a favorable pharmacokinetics (PK) profile across different species and robust efficacy in veratridine and formalin-induced inflammatory pain models in mice. Compound 51 also showed significant effects on the CCI-induced neuropathic pain model. The profile of 51 indicated that it has the potential for further evaluation as a therapeutic for pain.

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Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Formula: 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 Recent developments of RET protein kinase inhibitors with diverse scaffolds as hinge binders. Author is Jia, Cong-Cong; Chen, Wang; Feng, Zi-Li; Liu, Zhao-Peng.

A review. RET is a proto-oncogene encoding a receptor tyrosine kinase. RET regulates key aspects of cellular proliferation, differentiation and survival. The activation of RET via gene fusions or point mutations is closely related to lung, thyroid and other cancers. This review summarizes the developments of a diversity of small mol. RET protein kinase inhibitors in the past 10 years. These RET inhibitors are classified according to their hinge binder chemotypes as: pyrimidines, including the pyrazolopyrimidines, pyrimidine oxazines, quinazolines, 4-aminopyrimidines and 4-aminopyridines; indolinones; 5-aminopyrazole-4-carboxamides; 3-trifluoromethylanilines; imidazopyridines, imidazopyridazines and pyrazopyridines; nicotinonitriles; pyridones and 1,2,4-triazoles. In each section, the biol. activities of the inhibitors, their structure-activity relationships and possible binding modes with the RET kinase are introduced.

Here is a brief introduction to this compound(591-54-8)Formula: C4H5N3, if you want to know about other compounds related to this compound(591-54-8), you can read my other articles.

Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, is researched, Molecular C4H6N2O2S, CAS is 2150-55-2, about Application of 2-Aminothiazoline-4-carboxylic Acid as a Forensic Marker of Cyanide Exposure, the main research direction is forensic marker cyanide exposure aminothiazoline 4 carboxylate.Name: 2-Amino-4,5-dihydrothiazole-4-carboxylic acid.

Cyanides are infamous for their highly poisonous properties. Accidental cyanide poisoning occurs frequently, but occasionally, intentional poisonings also occur. Inhalation of fumes generated by fire may also cause cyanide poisoning. There are many limitations in direct anal. of cyanide. 2-Aminothiazoline-4-carboxylic acid (ATCA), a cyanide metabolite, seems to be the only surrogate that is being used in the detection of cyanide because of its stability and its cyanide-dependent quality in biol. matrix. Unfortunately, the toxicokinetic study on diverse animal models suggests significant interspecies differences; therefore, the attempt to extrapolate animal models to human model is unsuccessful. The aim of the present study was to evaluate the use of ATCA as a forensic marker of cyanide exposure. For this purpose, postmortem materials (blood and organs) from fire victims and cyanide-poisoned persons were collected. The distribution of ATCA in organs and its thermal stability were evaluated. The variability of cyanides in purified sample and in the context of their long-term and higher temperature stability was established. The presence of ATCA was detected by using LC-MS/MS method and that of cyanide was detected spectrofluorimetrically. This is the first report on the determination of ATCA distribution in tissues of fire victims and cyanide-poisoned persons. It was found that blood and heart had the highest ATCA concentrations ATCA was observed to be thermally stable even at 90°. Even though the cyanide concentration was not elevated in purified samples, it was unstable during long-term storage and at higher temperature, as expected. The relationship between ATCA and cyanides was also observed Higher ATCA concentrations were related to increased levels of cyanide in blood and organs (less prominent). ATCA seems to be a reliable forensic marker of exposure to LDs of cyanide.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Product Details of 1827-27-6. 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. Compound: 5-Amino-2-fluoropyridine, is researched, Molecular C5H5FN2, CAS is 1827-27-6, about Amide-containing α-hydroxytropolones as inhibitors of hepatitis B virus replication.

The Hepatitis B Virus (HBV) RNase H (RNaseH) is a promising but unexploited drug target. Here, we synthesized and analyzed a library of 57 amide-containing α-hydroxytropolones (αHTs) as potential leads for HBV drug development. Fifty percent effective concentrations ranged from 0.31 to 54μM, with selectivity indexes in cell culture of up to 80. Activity against the HBV RNaseH was confirmed in semi-quant. enzymic assays with recombinant HBV RNaseH. The compounds were overall poorly active against human RNase H1, with 50% inhibitory concentrations of 5.1 to >1,000μM. The aHTs had modest activity against growth of the fungal pathogen Cryptococcus neoformans, but had very limited activity against growth of the Gram – bacterium Escherichia coli and the Gram + bacterium Staphylococcus aureus, indicating substantial selectivity for HBV. A mol. model of the HBV RNaseH templated against the Ty3 RNaseH was generated. Docking the compounds to the RNaseH revealed the anticipated binding pose with the divalent cation coordinating motif on the compounds chelating the two Mn++ ions modeled into the active site. These studies reveal that that amide aHTs can be strong, specific HBV inhibitors that merit further assessment toward becoming anti-HBV drugs.

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Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Recommanded Product: 4-Aminopyrimidine. 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 Exploring the Influence of Intermolecular Interactions in Prebiotic Chemistry Using Laser Spectroscopy and Calculations. Author is Camiruaga, Ander; Usabiaga, Imanol; Calabrese, Camilla; Lamas, Iker; Basterretxea, Francisco J.; Fernandez, Jose A..

One of the most fascinating questions in chem. is why nature chose CGAT as the alphabet of life. Very likely, such selection was the result of multiple factors and a long period of refinement. Here, we explore how the intermol. interactions influenced such process, by characterizing the formation of dimers between adenine, theobromine and 4-aminopyrimidine. Using a combination of mass-resolved excitation spectroscopy and DFT calculations, we determined the structure of adenine-theobromine and 4-aminopyrimidine-theobromine dimers. The binding energy of these dimers is very close to the canonical adenine-thymine nucleobases. Likewise, the dimers are able to adopt Watson-Crick conformations. These findings seem to indicate that there were many options available to build the first versions of the informational polymers, which also had to compete with other mols., such as 4-aminopyrimidine, which does not have a valid attaching point for a saccharide. For some reason, nature did not select the most strongly-bonded partners or if it did, such proto-bases were later replaced by the nowadays canonical CGAT.

Here is a brief introduction to this compound(591-54-8)Recommanded Product: 4-Aminopyrimidine, if you want to know about other compounds related to this compound(591-54-8), you can read my other articles.

Reference:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem