Month: October 2021

Category: Pyrazines. Mugabo, P; Mulubwa, M in [Mugabo, Pierre; Mulubwa, Mwila] Univ Western Cape, Sch Pharm, Private Bag X17, ZA-7535 Bellville, Cape Town, South Africa published Population Pharmacokinetic Modelling of Pyrazinamide and Pyrazinoic Acid in Patients with Multi-Drug Resistant Tuberculosis in 2019, Cited 28. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

Background and ObjectivesPyrazinamide, a drug used in the regimen for the treatment of drug-sensitive tuberculosis, is also used for the treatment of multidrug-resistant tuberculosis (MDR-TB). We aimed to describe the population pharmacokinetics of pyrazinamide and its major metabolite, pyrazinoic acid, in patients with MDR-TB and characterise the effects of demographic variables.MethodsThis was a non-randomised clinical study involving 51 adult patients admitted for the intensive phase of MDR-TB treatment. Blood samples were collected at pre-dose and at 0.5, 1, 1.5, 2, 3, 4, 8, 16 and 24h after drug administration. Plasma concentrations of pyrazinamide and pyrazinoic acid were analysed using a validated LC-MS/MS method. Nonlinear mixed-effects modelling using Monolix 2018R1 software was employed to estimate population pharmacokinetic parameters.ResultsA one-compartment pharmacokinetic model with transit compartment absorption process and first-order elimination best described the pyrazinamide and pyrazinoic acid concentration-time data. The estimated population pharmacokinetic parameters were 0.7h, 3.38h(-1), 57.1l, 4.37L/h and 10.5L/h for mean transit time, absorption rate constant, apparent distribution volume for pyrazinamide, and apparent clearance for pyrazinamide and pyrazinoic acid (CLm/F), respectively. These parameters were not affected by patient age, HIV status or sex. The parameter variability in CLm/F was the highest (83.5%), while the rest of the parameters ranged from 16.2 to 58%.ConclusionsThe developed population pharmacokinetic model adequately described the disposition of pyrazinamide and pyrazinoic acid and can be useful for dose determination of pyrazinamide in patients with MDR-TB.

Category: Pyrazines. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Mugabo, P; Mulubwa, M or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

SDS of cas: 98-97-5. In 2019 CHEMISTRYSELECT published article about PI-PI STACKING; UNCONVENTIONAL HYDROGEN-BONDS; DOT-HC INTERACTIONS; COORDINATION POLYMERS; ELECTRON-DENSITY; HALOGEN BOND; MOLECULAR TECTONICS; CRYSTAL-STRUCTURE; QUANTUM-THEORY; CHEMICAL-BOND in [Khavasi, Hamid Reza; Balmohammadi, Yaser] Shahid Beheshti Univ, Dept Inorgan Chem & Catalysis, Gen Campus, Tehran 1983963113, Iran; [Naghavi, S. Shahab] Shahid Beheshti Univ, GC, Dept Phys & Computat Chem, Tehran 1983963113, Iran in 2019, Cited 97. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

The nature of the attractive intermolecular C-H horizontal ellipsis H-C interaction, which could affect the crystal packing and solid-state molecular structure, is yet unknown. Here, a novel mercury (II) complex including N-(2-biphenyl)pyrazine-2-carboxamide ligand, one such system, has been synthesized and characterized by a single crystal X-ray diffraction. The existence of attractive intermolecular C-HMIDLINE HORIZONTAL ELLIPSISH-C interaction (-2.64 to -9.30 kj/mol depending on computational levels) is a notable feature in the crystal packing of this complex, which is the first observation of intermolecular C-HMIDLINE HORIZONTAL ELLIPSISH-C interaction in a metal complex. From crystallographic data, this contact has a distance of 2.172 angstrom which is 9.5% shorter than the sum of the van der Waals radii of two hydrogen atoms, which is the primary condition of having intermolecular interactions. We study the nature C-H horizontal ellipsis H-C interaction in the synthesized mercury (II) complex using periodic/non-periodic density functional theory in conjunction with quantum theory of atoms in molecules, non-covalent interaction reduced density gradient method, natural bond orbital, and energy decomposition analysis tools. Our results suggest that C-HMIDLINE HORIZONTAL ELLIPSISH-C interaction has closed-shell, donor-acceptor, and van der Waals nature.

SDS of cas: 98-97-5. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Khavasi, HR; Balmohammadi, Y; Naghavi, SS or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Tudos, M; Anghel, EM; Culita, DC; Somacescu, S; Calderon-Moreno, J; Tecuceanu, V; Dumitrascu, FD; Dracea, O; Popa, M; Marutescu, L; Bleotu, C; Curutiu, C; Chifiriuc, MC in [Tudos, Madalina; Anghel, Elena Maria; Culita, Daniela C.; Somacescu, Simona; Calderon-Moreno, Jose] Ilie Murgulescu Inst Phys Chem, 202 Splaiul Independentei, Bucharest 060021, Romania; [Tecuceanu, Victorita; Dumitrascu, Florea D.] Ctr Organ Chem, 202A Spiaiul Independentei, Bucharest 060023, Romania; [Dracea, Olguta] Cantacussino Natl Inst Res Microbiol & Immunol, 103 Splaiul Independentei, Bucharest 050096, Romania; [Popa, Marcela; Marutescu, Luminita; Curutiu, Carmen; Chifiriuc, Mariana C.] Univ Bucharest, Microbiol Immunol Dept, Fac Biol, Aleea Portocalelor 1-3, Bucharest 060101, Romania; [Popa, Marcela; Marutescu, Luminita; Chifiriuc, Mariana C.] Univ Bucharest ICUB, Res Inst, Bvd M Kogalniceanu 36-46, Bucharest 50107, Romania; [Bleotu, Coralia] Stefan S Nicolau Virol Inst, Mihai Bravu 285, Bucharest 030317, Romania published Covalent coupling of tuberculostatic agents and graphene oxide: A promising approach for enhancing and extending their antimicrobial applications in 2019, Cited 57. Computed Properties of C5H4N2O2. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

In this work, we present a simple, two-stage method for the preparation of new and efficient antimicrobial hybrid systems, based on isoniazid and pyrazine-2-carbohydrazide tuberculostatic agents covalently linked to graphene oxide. In the first step, the carboxyl groups of graphene oxide are activated by transforming them into the corresponding acid chloride groups, which, in the second step, will react with the amino groups of the two drugs. Pyrazine-2-carbohydrazide was obtained from pyrazinoic acid and hydrazine hydrate and was confirmed by nuclear magnetic resonance spectroscopy. The materials have been characterized by elemental analysis, infrared spectroscopy, Raman spectroscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. Their antimicrobial activity was tested on mycobacterial (Mycobacterium terrae), as well as on Gram-negative bacteria (Escherichia coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853), Gram-positive bacteria (Staphylococcus aureus ATCC 6538, Staphylococcus aureus ATCC 25923) and fungal (Candida albicans ATCC 10231), in planktonic and biofilm growth state. The biocompatibility of the tested compounds was assessed in vitro by live-dead fluorescence staining and flow cytometry. The results of this study have shown that the functionalization of graphene oxide with isoniazid and pyrazine-2-carbohydrazide both enhanced the anti-mycobacterial activity of the respective drugs and extended their antimicrobial spectrum towards other microbial strains, in planktonic and biofilm growth state, showing a promising potential for mitigating the impact of antimicrobial resistance and the deleterious effects of microbial biofilms. At the active tuberculostatic concentrations, the tested compounds exhibit very low cytotoxicity and do not interfere with the cellular cycle of Hep-2 cells. The flow cytometry and live/dead fluorescence staining proved that the tested compounds exhibit a microbicidal effect through induction of cellular lesions, consecutive to membrane depolarization.

Computed Properties of C5H4N2O2. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Tudos, M; Anghel, EM; Culita, DC; Somacescu, S; Calderon-Moreno, J; Tecuceanu, V; Dumitrascu, FD; Dracea, O; Popa, M; Marutescu, L; Bleotu, C; Curutiu, C; Chifiriuc, MC or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Recommanded Product: 98-97-5. In 2020 ACS OMEGA published article about GOLD COMPLEXES; GOLD(III) COMPLEXES; AU(I) COMPLEXES; ACID; AURANOFIN; LIGANDS; AGENTS; BROAD in [Stenger-Smith, Jenny; Chakraborty, Indranil; Ouattara, Ramatoulaye; Mascharak, Pradip K.] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA; [Kamariza, Mireille; Bertozzi, Carolyn R.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA in 2020, Cited 42. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

As part of the quest for new gold drugs, we have explored the efficacy of three gold complexes derived from the tuberculosis drug pyrazinamide (PZA), namely, the gold(I) complex [Au(PPh3)(PZA)]OTf (1, OTf = trifluoromethanesulfonate) and two gold(III) complexes [Au(PZA)Cl-2] (2) and [Au(PZO)Cl-2] (3, PZO = pyrazinoic acid, the metabolic product of PZA) against two mycobacteria, Mycobacterium tuberculosis and Mycobacterium smegmatis. Only complex 1 with the {Au(PPh3)}(+) moiety exhibits significant bactericidal activity against both strains. In the presence of thiols, 1 gives rise to free PZA and {Au(PPh3)}-thiol polymeric species. A combination of PZA and the {Au(PPh3)}-thiol polymeric species appears to lead to enhanced efficacy of 1 against M. tuberculosis.

Recommanded Product: 98-97-5. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Stenger-Smith, J; Kamariza, M; Chakraborty, I; Ouattara, R; Bertozzi, CR; Mascharak, PK or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Computed Properties of C5H4N2O2. Authors Ma, JJ; Chen, SM; Bellotti, P; Guo, RY; Schafer, F; Heusler, A; Zhang, XL; Daniliuc, C; Brown, MK; Houk, KN; Glorius, F in AMER ASSOC ADVANCEMENT SCIENCE published article about in [Ma, Jiajia; Bellotti, Peter; Schafer, Felix; Heusler, Arne; Zhang, Xiaolong; Daniliuc, Constantin; Glorius, Frank] Westfalische Wilhelms Univ Munster, Organ Chem Inst, Corrensstr 40, D-48149 Munster, Germany; [Chen, Shuming; Houk, Kendall N.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA; [Guo, Renyu; Brown, M. Kevin] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA in 2021, Cited 74. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

Dearomative cycloaddition reactions represent an ideal means of converting flat arenes into three-dimensional architectures of increasing interest in medicinal chemistry. Quinolines, isoquinolines, and quinazolines, despite containing latent diene and alkene subunits, are scarcely applied in cycloaddition reactions because of the inherent low reactivity of aromatic systems and selectivity challenges. Here, we disclose an energy transfer-mediated, highly regio- and diastereoselective intermolecular [4 + 2] dearomative cycloaddition reaction of these bicyclic azaarenes with a plethora of electronically diverse alkenes. This approach bypasses the general reactivity and selectivity issues, thereby providing various bridged polycycles that previously have been inaccessible or required elaborate synthetic efforts. Computational studies with density functional theory elucidate the mechanism and origins of the observed regio- and diastereoselectivities.

Computed Properties of C5H4N2O2. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Ma, JJ; Chen, SM; Bellotti, P; Guo, RY; Schafer, F; Heusler, A; Zhang, XL; Daniliuc, C; Brown, MK; Houk, KN; Glorius, F or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Application In Synthesis of Pyrazine-2-carboxylic acid. I found the field of Food Science & Technology very interesting. Saw the article Alkylpyrazines from Coffee are Extensively Metabolized to Pyrazine Carboxylic Acids in the Human Body published in 2019, Reprint Addresses Richling, E (corresponding author), Tech Univ Kaiserslautern, Dept Chem, Div Food Chem & Toxicol, Erwin Schrodinger Str 52, D-67663 Kaiserslautern, Germany.. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid.

Scope Coffee is a complex mixture of over 1000 compounds, including diverse heteroaromatic compounds such as alkylpyrazines. Little is known about the intake, metabolism, and bodily distribution of these compounds. Therefore, a human intervention study is conducted to investigate the excretion of alkylpyrazine metabolites in urine after the ingestion of brewed coffee containing alkylpyrazines. Methods and results After consuming a diet without heat-processed food, ten volunteers consumed 500 mL of freshly brewed coffee prepared from coffee pads, providing intakes of 2-methylpyrazine (2-MeP), 2,5-dimethylpyrazine (2,5-DMeP), and 2,6-dimethylpyrazine (2,6-DMeP) amounting to 17.2, 4.4, and 4.9 mu mol, respectively. These alkylpyrazines are metabolized into the corresponding pyrazine carboxylic acids, namely pyrazine-2-carboxylic acid (PA), 5-hydroxypyrazine-2-carboxylic acid (5-OHPA), 5-methylpyrazine-2-carboxylic acid (5-MePA), and 6-methylpyrazine-2-carboxylic acid (6-MePA). In total, 64% of the ingested 2-MeP is excreted as PA, as well as 26% as 5-OHPA, while 91% and 97% of the ingested 2,5-DMeP and 2,6-DMeP are recovered as 5-MePA and 6-MePA, respectively, in urine samples collected after coffee consumption. Conclusion This study provides evidence that alkylpyrazines are rapidly metabolized into the corresponding carboxylic acids and excreted via urine by humans, which is consistent with earlier rodent studies.

Application In Synthesis of Pyrazine-2-carboxylic acid. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Kremer, JI; Pickard, S; Stadlmair, LF; Glass-Theis, A; Buckel, L; Bakuradze, T; Eisenbrand, G; Richling, E or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Jiang, YQ; He, L; Green, J; Blevins, H; Guo, CQ; Patel, SH; Halquist, MS; Mcrae, M; Venitz, J; Wang, XY; Zhang, SJ in [Jiang, Yuqi; He, Liu; Green, Jakob; Blevins, Hallie; Zhang, Shijun] Virginia Commonwealth Univ, Dept Med Chem, Richmond, VA 23298 USA; [Guo, Chunqing; Wang, Xiang-Yang] Virginia Commonwealth Univ, Dept Human & Mol Genet, Richmond, VA 23298 USA; [Patel, Sulay Harsiddhbhai; McRae, MaryPeace] Virginia Commonwealth Univ, Dept Pharmacotherapy & Outcomes, Richmond, VA 23298 USA; [Halquist, Matthew S.; Venitz, Jurgen] Virginia Commonwealth Univ, Dept Pharmaceut, Richmond, VA 23298 USA; [Jiang, Yuqi] Ocean Univ China, Sch Med & Pharm, Qingdao 266003, Shandong, Peoples R China published Discovery of Second-Generation NLRP3 Inflammasome Inhibitors: Design, Synthesis, and Biological Characterization in 2019, Cited 30. Quality Control of Pyrazine-2-carboxylic acid. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

NLRP3 inflammasomes have recently emerged as an attractive drug target for neurodegenerative disorders. In our continuing studies, a new chemical scaffold was designed as selective inhibitors of NLRP3 inflammasomes. Initial characterization of the lead HL16 demonstrated improved, however, nonselective inhibition on the NLRP3 inflammasome. Structure-activity relationship studies of HL16 identified a new lead, 17 (YQ128), with an IC50 of 0.30 +/- 0.01 mu M. Further studies from in vitro and in vivo models confirmed its selective inhibition on the NLRP3 inflammasome and its brain penetration. Furthermore, pharmacokinetic studies in rats at 20 mg/kg indicated extensive systemic clearance and tissue distribution, leading to a half-life of 6.6 h. However, the oral bioavailability is estimated to be only 10%, which may reflect limited GI permeability and possibly high first-pass effects. Collectively, these findings strongly encourage development of more potent analogues with improved pharmacokinetic properties from this new chemical scaffold.

Quality Control of Pyrazine-2-carboxylic acid. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Jiang, YQ; He, L; Green, J; Blevins, H; Guo, CQ; Patel, SH; Halquist, MS; Mcrae, M; Venitz, J; Wang, XY; Zhang, SJ or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Authors Yang, ZF; Yang, XD; Jin, LY; Dong, KL; Ma, PT; Niu, JY; Wang, JP in TAYLOR & FRANCIS LTD published article about COMPLEXES; AZIDO; MN in [Yang, Zongfei; Yang, Xindi; Jin, Linyu; Dong, Kaili; Ma, Pengtao; Niu, Jingyang; Wang, Jingping] Henan Univ, Henan Key Lab Polyoxometalate Chem, Inst Mol & Crystal Engn, Coll Chem & Chem Engn, Kaifeng 475004, Henan, Peoples R China in 2020, Cited 29. Safety of Pyrazine-2-carboxylic acid. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

A high-nuclearity nickel-substituted polyoxotungstate, Na6K5.5H4.5{[Ni-8(OH)(6)(H2O)(2)](CO3)(3)(SiW9O34)(2)}center dot 22H(2)O (1), has been obtained by the reaction of Na-10[alpha-SiW9O34]center dot 18H(2)O, Ni(NO3)(2)center dot 6H(2)O and K(2)CO(3)in aqueous solution and characterized by IR spectroscopy, single crystal X-ray diffraction, thermal gravimetric analysis and elemental analysis. Carbonate is not only used to adjust the pH of the solution, but also is a structure-stabilizing agent. The polyoxoanion {[Ni-8(OH)(6)(H2O)(2)](CO3)(3)(SiW9O34)(2)}(16-)(1a) can be regarded as two {[Ni-4(OH)(3)(H2O)](SiW9O34)} subunits connected by three carbonate groups, which represents the first polyanion containing an octanuclear nickel cluster based on trivacant Keggin-type polyoxotungstate {XW9} (X = heteroatom). The subunit {[Ni-4(OH)(3)(H2O)](SiW9O34)} can be viewed as a tetranuclear nickel cluster linked to a trivacant Keggin-type polyoxotungstate {SiW9O34}. Furthermore, magnetic measurements show that1exhibits antiferromagnetic interactions.

About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Yang, ZF; Yang, XD; Jin, LY; Dong, KL; Ma, PT; Niu, JY; Wang, JP or concate me.. Product Details of 98-97-5

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Quality Control of Pyrazine-2-carboxylic acid. In 2019 J MED CHEM published article about ACTIVATION in [Jiang, Yuqi; He, Liu; Green, Jakob; Blevins, Hallie; Zhang, Shijun] Virginia Commonwealth Univ, Dept Med Chem, Richmond, VA 23298 USA; [Guo, Chunqing; Wang, Xiang-Yang] Virginia Commonwealth Univ, Dept Human & Mol Genet, Richmond, VA 23298 USA; [Patel, Sulay Harsiddhbhai; McRae, MaryPeace] Virginia Commonwealth Univ, Dept Pharmacotherapy & Outcomes, Richmond, VA 23298 USA; [Halquist, Matthew S.; Venitz, Jurgen] Virginia Commonwealth Univ, Dept Pharmaceut, Richmond, VA 23298 USA; [Jiang, Yuqi] Ocean Univ China, Sch Med & Pharm, Qingdao 266003, Shandong, Peoples R China in 2019, Cited 30. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

NLRP3 inflammasomes have recently emerged as an attractive drug target for neurodegenerative disorders. In our continuing studies, a new chemical scaffold was designed as selective inhibitors of NLRP3 inflammasomes. Initial characterization of the lead HL16 demonstrated improved, however, nonselective inhibition on the NLRP3 inflammasome. Structure-activity relationship studies of HL16 identified a new lead, 17 (YQ128), with an IC50 of 0.30 +/- 0.01 mu M. Further studies from in vitro and in vivo models confirmed its selective inhibition on the NLRP3 inflammasome and its brain penetration. Furthermore, pharmacokinetic studies in rats at 20 mg/kg indicated extensive systemic clearance and tissue distribution, leading to a half-life of 6.6 h. However, the oral bioavailability is estimated to be only 10%, which may reflect limited GI permeability and possibly high first-pass effects. Collectively, these findings strongly encourage development of more potent analogues with improved pharmacokinetic properties from this new chemical scaffold.

Quality Control of Pyrazine-2-carboxylic acid. About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Jiang, YQ; He, L; Green, J; Blevins, H; Guo, CQ; Patel, SH; Halquist, MS; Mcrae, M; Venitz, J; Wang, XY; Zhang, SJ or concate me.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

An article Cu(II)-Mediated N-H and N-Alkyl Aryl Amination and Olefin Aziridination WOS:000461843900081 published article about C-H; STEREOSPECIFIC SYNTHESIS; ELECTROPHILIC AMINATION; CATALYZED AMINATION; BONDS in [Munnuri, Sailu; Anugu, Raghunath Reddy; Falck, John R.] Univ Texas Southwestern Med Ctr Dallas, Dept Biochem, Div Chem, Dallas, TX 75390 USA in 2019, Cited 32. Safety of Pyrazine-2-carboxylic acid. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

Cu(II)-mediated direct NH2 and NH alkyl aryl aminations and olefin aziridinations are described. These room temperature, one-pot, environmentally friendly procedures replace costly Rh-2 catalysts and, in some instances, display important differences with comparable Rh-2- and Fe-supported reactions.

About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Munnuri, S; Anugu, RR; Falck, JR or concate me.. Application In Synthesis of Pyrazine-2-carboxylic acid

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem