Pyrazines

An article N-(4-(2-chloro-4-(trifluoromethyl)phenoxy)phenyl)picolinamide as a new inhibitor of mitochondrial complex III: Synthesis, biological evaluation and computational simulations WOS:000546629300011 published article about CYTOCHROME BC(1) COMPLEX; IRON-SULFUR PROTEIN; BC1 COMPLEX; DISCOVERY; SITE; FUNGICIDE; AMETOCTRADIN; RESISTANCE; MECHANISM; BINDING in [Cheng, Hua; Yang, Lu; Liu, Hong-Fu; Zhang, Rui] Hubei Univ Arts & Sci, Dept Chem Engn & Food Sci, Xiangyang 441053, Peoples R China; [Chen, Cheng] Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China; [Wu, Yuan; Jiang, Wen] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China in 2020, Cited 47. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5. Computed Properties of C5H4N2O2

Mitochondrial complex III is one of the most promising targets for a number of pharmaceuticals and fungicides. Due to the wide-spread use of complex III-inhibiting fungicides, a considerable increase of resistance has occurred worldwide. Therefore, inhibitors with novel scaffolds and potent activity against complex III are still in great demand. In this article, a new series of amide compounds bearing the diaryl ether scaffold were designed and prepared, followed by the biological evaluation. Gratifyingly, several compounds demonstrated potent activity against succinate-cytochrome c reductase (SCR, a mixture of mitochondrial complex II and complex III), with compound 3w possessing the best inhibitory activity (IC50 = 0.91 +/- 0.09 mu mol/L). Additional studies verified that 3w was a new inhibitor of complex III. Moreover, computational simulations elucidated that 3w should bind to the Q(o) site of complex III. We believe this work will be valuable for the preparation and discovery of more complex III inhibitors.

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

Authors Khavasi, HR; Gholami, A; Hosseini, M; Nikpoor, L; Eskandari, K in AMER CHEMICAL SOC published article about HALIDE ION SYNTHON; CRYSTAL-STRUCTURES; INTERMOLECULAR INTERACTIONS; HYDROGEN-BONDS; MOLECULES; HIERARCHY; CROSSOVER; LIGANDS; METALS; BR in [Khavasi, Hamid Reza; Gholami, Akram; Hosseini, Mahdieh; Nikpoor, Leyla] Shahid Beheshti Univ, Dept Inorgan Chem & Catalysis, Tehran 1983963113, Iran; [Eskandari, Kiamars] Isfahan Univ Technol, Dept Chem, Esfahan 8415683111, Iran in 2020, Cited 45. Category: Pyrazines. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

A family of 10 compounds, each containing a MX2-pyrazine carboxylate complex anion and a protonated halo- (X’-) amino pyridine cation (MX2 = ZnCl2, ZnBr2, ZnI2, HgBr2, and HgI2; X’ = Cl, Br, I), are presented; a suitable system for pursuing C-X’center dot center dot center dot X-M halogen bonding (XB). The influence of halogen manipulation, metal ion and coordination variation on the nature and strength of C-X’center dot center dot center dot X-M interactions was discussed in terms of geometrical parameters, binding energies and charge density analysis with emphasis on the Laplacian of the electron density, del(2)rho. Interplay of XBs with other noncovalent interactions, mainly N-H center dot center dot center dot XM and N-py-H+center dot center dot center dot O- bonds, in supramolecular assemblies, were also investigated. The C-X’center dot center dot center dot X-M and N-H center dot center dot center dot X-M bonds have rationally been modified in strength upon changing the halogens involved, leading to systematic variations in the crystal packing.

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

SDS of cas: 98-97-5. Authors Drozd, KV; Manin, AN; Voronin, AP; Perlovich, GL in ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD published article about in [Drozd, K., V; Manin, A. N.; Voronin, A. P.; Perlovich, G. L.] RAS, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia in 2021, Cited 70. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

The thermophysical characteristics and decomposition of pyrazinoic (POA), dipicolinic (DPA), and quinolinic (QNA) acids have been studied by differential scanning calorimetry (DSC), thermogravimetric analysis (TG) and mass-spectrometry. The transpiration method has been used to measure the vapour pressures as a function of the POA, DPA or QNA temperature. It has been found that QNA remains thermally stable in the solid form up to the temperature of 367.15 K, and further heating causes its decarboxylation and irreversible conversion to nicotinic acid. The standard molar enthalpies, entropies, and Gibbs energies of sublimation for POA, DPA and QNA have been calculated. A comparative study of five calculation schemes for sublimation enthalpy estimation (periodic Density Functional Theory computations (DFT-D3), Quantum Theory of Atoms in Molecules (QTAIM), Gavezzotti’s Coulomb-London-Pauli model (CLP and PIXEL) and CrystalExplorer CE-B3LYP) has been conducted. The sublimation thermodynamic functions of the compounds studied by the correlation method have been estimated. When applied to the objects of this study, the method proved to be a quick, convenient and inexpensive way to evaluate the sublimation thermodynamic functions of molecular crystals using only the melting temperature of the compound. (C) 2020 Elsevier Ltd.

SDS of cas: 98-97-5. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

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

In 2021 BIOORG CHEM published article about RESISTANCE; ANTIBIOTICS; ANIMALS in [Liu, Jie; Zhang, Guang-Yu; Zhang, Zhe; Li, Bo; Chai, Fei; Wang, Qi; Zhou, Zi-Dan; Xu, Ling-Ling; Wang, Shou-Kai; Jin, Zhen; Tang, You-Zhi] South China Agr Univ, Coll Vet Med, Guangdong Prov Key Lab Vet Pharmaceut Dev & Safet, Guangzhou 510642, Peoples R China; [Jin, Zhen; Tang, You-Zhi] Guangdong Lab Lingnan Modern Agr, Guangzhou 510642, Peoples R China in 2021, Cited 29. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5. Category: Pyrazines

A class of pleuromutilin derivatives containing 1, 3, 4-oxadiazole were designed and synthesized as potential antibacterial agents against Methicillin-resistant staphylococcus aureus (MRSA). The ultrasound-assisted reaction was proposed as a green chemistry method to synthesize 1, 3, 4-oxadiazole derivatives (intermediates 85-110). Among these pleuromutilin derivatives, compound 133 was found to be the strongest antibacterial derivative against MRSA (MIC = 0.125 mu g/mL). Furthermore, the result of the time-kill curves displayed that compound 133 could inhibit the growth of MRSA in vitro quickly (- 4.36 log10 CFU/mL reduction). Then, compound 133 (1.82 log10 CFU/mL) displayed superior in vivo antibacterial efficacy than tiamulin (- 0.82 log10 CFU/mL) in reducing MRSA load in mice thigh model. Besides, compound 133 exhibited low cytotoxicity to RAW 264.7 cells. Molecular docking studies revealed that compound 133 was successfully localized in the binding pocket of 50S ribosomal subunit (delta Gb = -10.50 kcal/mol). The results indicated that these pleuromutilin derivatives containing 1, 3, 4-oxadiazole might be further developed into novel antibiotics against MRSA.

Category: Pyrazines. Welcome to talk about 98-97-5, If you have any questions, you can contact Liu, J; Zhang, GY; Zhang, Z; Li, B; Chai, F; Wang, Q; Zhou, ZD; Xu, LL; Wang, SK; Jin, Z; Tang, YZ or send Email.

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

Product Details of 98-97-5. Authors Drozd, KV; Manin, AN; Voronin, AP; Perlovich, GL in ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD published article about in [Drozd, K., V; Manin, A. N.; Voronin, A. P.; Perlovich, G. L.] RAS, GA Krestov Inst Solut Chem, Ivanovo 153045, Russia in 2021, Cited 70. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

The thermophysical characteristics and decomposition of pyrazinoic (POA), dipicolinic (DPA), and quinolinic (QNA) acids have been studied by differential scanning calorimetry (DSC), thermogravimetric analysis (TG) and mass-spectrometry. The transpiration method has been used to measure the vapour pressures as a function of the POA, DPA or QNA temperature. It has been found that QNA remains thermally stable in the solid form up to the temperature of 367.15 K, and further heating causes its decarboxylation and irreversible conversion to nicotinic acid. The standard molar enthalpies, entropies, and Gibbs energies of sublimation for POA, DPA and QNA have been calculated. A comparative study of five calculation schemes for sublimation enthalpy estimation (periodic Density Functional Theory computations (DFT-D3), Quantum Theory of Atoms in Molecules (QTAIM), Gavezzotti’s Coulomb-London-Pauli model (CLP and PIXEL) and CrystalExplorer CE-B3LYP) has been conducted. The sublimation thermodynamic functions of the compounds studied by the correlation method have been estimated. When applied to the objects of this study, the method proved to be a quick, convenient and inexpensive way to evaluate the sublimation thermodynamic functions of molecular crystals using only the melting temperature of the compound. (C) 2020 Elsevier Ltd.

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

Computed Properties of C5H4N2O2. In 2019 ORG LETT published article about BASIC SIDE-CHAINS; C-H CARBONYLATION; OXIDATIVE CARBONYLATION; DESIGN; C(SP(2))-H; INHIBITORS; BONDS; OPTIMIZATION; CYCLIZATION; ACTIVATION in [Ying, Jun; Fu, Lu-Yang; Zhong, Guoqiang; Wu, Xiao-Feng] Zhejiang Sci Tech Univ, Dept Chem, Xiasha Campus, Hangzhou 310018, Peoples R China; [Wu, Xiao-Feng] Univ Rostock, Leibniz Inst Katalyse eV, Albert Einstein Str 29a, D-18059 Rostock, Germany in 2019, Cited 33. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

A cobalt-catalyzed C-H carbonylation of naphthylamides for the synthesis of benzo[cd]indol-2(1H)-one scaffolds has been developed. The reaction employs a traceless directing group and uses benzene-1,3,5-triyltriormate as the CO source, affording various free (NH)-benzo[cd]indol-2(1H)-ones in moderate to high yields (up to 88%). Using this protocol, the total synthesis of BET bromodomain inhibitors A and B was accomplished as well.

Welcome to talk about 98-97-5, If you have any questions, you can contact Ying, J; Fu, LY; Zhong, GQ; Wu, XF or send Email.. Computed Properties of C5H4N2O2

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

An article Design, Synthesis, In Vitro Antimicrobial, Antioxidant Evaluation, and Molecular Docking Study of Novel Benzimidazole and Benzoxazole Derivatives WOS:000461906200018 published article about ONE-POT SYNTHESIS; 2-SUBSTITUTED BENZOTHIAZOLES; OXIDATIVE CYCLIZATION; CATALYST; EFFICIENT; 2-ARYLBENZOXAZOLES; BASES in [Kashid, Bharat B.; Ghanwat, Anil A.; Dongare, Balasaheb B.] Solapur Univ, Sch Chem Sci, Chem Res Lab, Solapur 413255, MS, India; [Khedkar, Vijay M.] Shri Vile Parle Kelavani Mandals Inst Pharm, Dept Pharmaceut Chem, Dhule 424001, MS, India; [Shaikh, Mubarak H.; Deshpande, Prathmesh P.; Wakchaure, Yogesh B.] Dr Babasaheb Ambedkar Marathwada Univ, Dept Chem, Aurangabad 431004, MS, India in 2019, Cited 52. Product Details of 98-97-5. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

A series of novel 2-substituted benzimidazole and benzoxazole derivatives as a potential antimicrobial and antioxidant agent were synthesized via coupling of N-methyl-o-phenylenediamine or 2-amino-phenol with aromatic aldehyde and acid in the presence of polyphosphoric acid as an efficient catalyst as well as solvent by conventional method in short reaction times with excellent yield. The newly synthesized benzimidazole and benzoxazole derivatives were evaluated for antimicrobial and antioxidant activity and exhibited excellent to good activities compared to the standard drugs. Furthermore, the theoretical predictions based on molecular docking against microbial DNA gyrase could provide an insight into the plausible mechanism of action and establish a link between the observed antimicrobial activity and the binding affinity shedding light on specific thermodynamic (bonded and nonbonded) interactions governing the activity. Furthermore, the synthesized compounds were analyzed for absorption, distribution, metabolism, and excretion properties and exhibited potential properties to build up as good oral drug candidates.

Product Details of 98-97-5. Welcome to talk about 98-97-5, If you have any questions, you can contact Kashid, BB; Ghanwat, AA; Khedkar, VM; Dongare, BB; Shaikh, MH; Deshpande, PP; Wakchaure, YB or send Email.

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

Authors Reddyrajula, R; Dalimba, U in PERGAMON-ELSEVIER SCIENCE LTD published article about ANTI-TUBERCULAR ACTIVITY; DESIGN; HYBRIDS; 1,2,3-TRIAZOLE; HYBRIDIZATION; ANTIMYCOBACTERIAL; DIARYLQUINOLINE in [Reddyrajula, Rajkumar; Dalimba, Udayakumar] Natl Inst Technol Karnataka, Dept Chem, Organ Chem Lab, Mangalore 575025, India in 2020, Cited 38. HPLC of Formula: C5H4N2O2. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

Tuberculosis remains as a major public health risk which causes the highest mortality rate globally and an improved regimen is required to treat the drug-resistant strains. Pyrazinamide is a first-line antitubercular drug used in combination therapy with other anti-TB drugs. Herein, we describe the modification of pyrazinamide structure using bioisosterism and rational approaches by incorporating the 1,2,3-triazole moiety. Three sets of pyrazine-1,2,3-triazoles (3a-o, 5a-o and 9a-l) are designed, synthesized and evaluated for their in vitro inhibitory potency against mycobacterium tuberculosis H(37)Rv. The pyrazine-1,2,3-triazoles synthesized through the bioisosteric modification displayed improved activity as compared to rationally modified pyrazine-1,2,3-triazoles. Among 42 title compounds, seven derivatives demonstrated significant anti-tubercular activity with the MIC of 1.56 mu g/mL, which are two-fold more potent than the parent compound pyrazinamide. Further, the synthesized pyrazinamide analogs demonstrated moderate inhibition activity against several bacterial strains and possessed an acceptable in vitro cytotoxicity profile as well. Additionally, the activity profile of pyrazine-1,2,3-triazoles was validated by performing the molecular docking studies against the Inh A enzyme. Furthermore, in silico ADME prediction revealed good oral bioavailability for the potent molecules.

Welcome to talk about 98-97-5, If you have any questions, you can contact Reddyrajula, R; Dalimba, U or send Email.. HPLC of Formula: C5H4N2O2

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

Stonelake, TM; Phillips, KA; Otaif, HY; Edwardson, ZC; Horton, PN; Coles, SJ; Beames, JM; Pope, SJA in [Stonelake, Thomas M.; Phillips, Kaitlin A.; Otaif, Haleema Y.; Edwardson, Zachary C.; Beames, Joseph M.; Pope, Simon J. A.] Cardiff Univ, Sch Chem, Cardiff CF10 3AT, Wales; [Horton, Peter N.; Coles, Simon J.] Univ Southampton, Fac Nat & Environm Sci, UK Natl Crystallog Serv, Chem, Southampton SO17 1BJ, Hants, England published Spectroscopic and Theoretical Investigation of Color Tuning in Deep-Red Luminescent Iridium(III) Complexes in 2020, Cited 60. HPLC of Formula: C5H4N2O2. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

A series of heteroleptic, neutral iridium(III) complexes of the form [Ir(L)(2)(N boolean AND O)] (where L = cyclometalated 2,3-disubstituted quinoxaline and N boolean AND O = ancillary picolinate or pyrazinoate) are described in terms of their synthesis and spectroscopic properties, with supporting computational analyses providing additional insight into the electronic. properties. The 10 [Ir(L)(2)(N boolean AND O)] complexes were characterized using a range of analytical techniques (including H-1, C-13, and F-19 NMR and IR spectroscopies and mass spectrometry). One of the examples was structurally characterized using X-ray diffraction. The redox properties were determined using cyclic voltammetry, and the electronic properties were investigated using UV-vis, time-resolved luminescence, and transient absorption spectroscopies. The complexes are phosphorescent in the red region of the visible spectrum (lambda(em) = 633-680 nm), with lifetimes typically of hundreds of nanoseconds and quantum yields ca. 5% in aerated chloroform. A combination of spectroscopic and computational analyses suggests that the long-wavelength absorption and emission properties of these complexes are strongly characterized by a combination of spin-forbidden metal-to-ligand charge-transfer and quinoxaline-centered transitions. The emission wavelength in these complexes can thus be controlled in two ways: first, substitution of the cyclometalating quinoxaline ligand can perturb both the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital levels (LUMO, Cl atoms on the ligand induce the largest bathochromic shift), and second, the choice of the ancillary ligand can influence the HOMO energy (pyrazinoate stabilizes the HOMO, inducing hypsochromic shifts).

Welcome to talk about 98-97-5, If you have any questions, you can contact Stonelake, TM; Phillips, KA; Otaif, HY; Edwardson, ZC; Horton, PN; Coles, SJ; Beames, JM; Pope, SJA or send Email.. HPLC of Formula: C5H4N2O2

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

Formula: C5H4N2O2. Zhao, FY; Sun, X; Lu, W; Xu, L; Shi, JZ; Yang, SL; Zhou, MY; Su, F; Lin, F; Cao, FL in [Zhao, Fengyi; Xu, Li; Cao, Fuliang] Nanjing Forestry Univ, Coinnovat Ctr Sustainable Forestry Southern China, Nanjing 210037, Peoples R China; [Zhao, Fengyi; Cao, Fuliang] Nanjing Forestry Univ, Coll Forestry, Nanjing, Peoples R China; [Zhao, Fengyi; Sun, Xu; Lu, Wen; Xu, Li; Shi, Jiuzhou] Nanjing Forestry Univ, Coll Sci, Nanjing, Peoples R China; [Sun, Xu] Nanjing Forestry Univ, Coll Informat Sci & Technol, Nanjing, Peoples R China; [Yang, Shilong; Zhou, Mengyi; Su, Fan; Lin, Feng] Nanjing Forestry Univ, Adv Anal & Testing Ctr, Nanjing, Peoples R China published Synthesis of novel, DNA binding heterocyclic dehydroabietylamine derivatives as potential antiproliferative and apoptosis-inducing agents in 2020, Cited 60. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

Several dehydroabietylamine derivatives containing heterocyclic moieties such as thiophene and pyrazine ring were successfully synthesized. The antiproliferative activities of these thiophene-based Schiff-bases, thiophene amides, and pyrazine amides were investigated in vitro against Hela (cervix), MCF-7 (breast), A549 (lung), HepG2 (liver), and HUVEC (umbilical vein) cells by MTT assay. The toxicity of L-1-L-10 (IC50 = 5.92- >100 mu M) was lower than L-0 (1.27 mu M) and DOX (4.40 mu M) in every case. Compound L-1 had higher anti-HepG2 (0.66 mu M), anti-MCF-7 (5.33 mu M), and anti-A549 (2.11 mu M) and compound L-3 had higher anti-HepG2 (1.63 mu M) and anti-MCF-7 (2.65 mu M) activities. Both of these compounds were recognized with high efficiency in apoptosis induction in HepG2 cells and intercalated binding modes with DNA. Moreover, with average IC50 values of 0.66 and 5.98 mu M, L-1 was nine times more effective at suppressing cultured HepG2 cells viability than normal cells (SI = 9). The relative tumor proliferation rate (T/C) was 38.6%, the tumor inhibition rate was up to 61.2%, which indicated that L-1 had no significant toxicity but high anti-HepG2 activity in vivo. Thus, it may be a potential antiproliferation drug with nontoxic side effects.

Formula: C5H4N2O2. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

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