Day: April 19, 2022

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Chiral Cobalt(III) Tris(1,2-diamine) Catalysts That Incorporate Nitrogenous Base Containing Anions for the Bifunctional Activation of Nucleophiles and Electrophiles in Enantioselective Addition Reactions, the main research direction is chiral diamine cobalt complex preparation; nitroolefin dimethyl malonate cobalt complex catalyst enantioselective Michael addition; ditertiarybutyl azodicarboxylate dicarbonyl compound cobalt catalyst enantioselective Michael addition; bistertiarybutoxycarbonyl hydrazino dicarbonyl compound preparation.Reference of 6-Methylnicotinic acid.

Here, The lipophilic diastereomeric cobalt complexes Λ or Δ-[Co((S,S)-dpen)3]3+ 2Cl-BArf- (Λ or Δ-(S,S)-23+ 2Cl-BArf-; dpen/BArf- = 1,2-diphenylethylenediamine/B(3,5-C6H3(CF3)2)4-) ,salts of nicotinates, isonicotinates, related sulfonates, and N,N-dimethylaminobenzoate were applied addition reactions. The 6-chloronicotinate salt gaves slower rates and lower ee values, and the 6-aminonicotinate salt gave faster rates and higher ee values. The 6-Me, 2-methoxy, and unsubstituted analogs afforded intermediate results. The 6-aminonicotinate catalyst was applied to additions of di-Me malonate to aryl-substituted nitroolefins and additions of 1,3-dicarbonyl compounds to di-t-Bu azodicarboxylate, with average yields/ee values of 90%/85% and 94%/77%, resp. The authors were unaware of other ionic catalysts for which Bronsted bases was productively incorporated into the anions, which were seldom if ever purposefully functionalized in any manner.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

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: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Alkylated Piperazines and Piperazine-Azole Hybrids as Antifungal Agents.Computed Properties of C10H7F2N3O.

The extensive use of fluconazole (FLC) and other azole drugs has caused the emergence and rise of azole-resistant fungi. The fungistatic nature of FLC in combination with toxicity concerns have resulted in an increased demand for new azole antifungal agents. Herein, we report the synthesis and antifungal activity of novel alkylated piperazines and alkylated piperazine-azole hybrids, their time-kill studies, their hemolytic activity against murine erythrocytes, as well as their cytotoxicity against mammalian cells. Many of these mols. exhibited broad-spectrum activity against all tested fungal strains, with excellent min. inhibitory concentration (MIC) values against non-albicans Candida and Aspergillus strains. The most promising compounds were found to be less hemolytic than the FDA-approved antifungal agent voriconazole (VOR). Finally, we demonstrate that the synthetic alkylated piperazine-azole hybrids do not function by fungal membrane disruption, but instead by disruption of the ergosterol biosynthetic pathway via inhibition of the 14α-demethylase enzyme present in fungal cells.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

HPLC of Formula: 3222-47-7. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Discovery of novel bacterial FabH inhibitors (Pyrazol-Benzimidazole amide derivatives): Design, synthesis, bioassay, molecular docking and crystal structure determination. Author is Wang, Yan-Ting; Shi, Tian-Qi; Fu, Jie; Zhu, Hai-Liang.

The enzyme FabH catalyzes the initial step of fatty acid biosynthesis that is essential for bacterial survival. Therefore, FabH has been identified as an attractive target for the development of new antibacterial agents. We present here the discovery of a promising new series of Pyrazol-Benzimidazole amides with low toxicity and potent FabH inhibitory. Twenty-seven novel compounds have been synthesized, and all the compounds were characterized by 1H NMR, 13C NMR and MS. Afterwards they were evaluated for in-vitro antibacterial activities against E. coli, P. aeruginosa, B. subtilis and S. aureus, along with E. coli FabH inhibition and cytotoxicity test. Some compounds proved to be of low toxicity and potent, especially compound I exhibited the most potential to be a new drug with MIC of 0.49-0.98 μg/mL against the tested bacterial strains and IC50 of 1.22 μM against E. coli FabH. Some analogs with low range MIC against wild type Xanthomonas Campestris exhibited no inhibition against FabH-deficient mutant strain, which firmly proved the class of compounds arrived at antibacterial activity via interacting with FabH. In silico ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) evaluation also pointed out that these compounds are potential for druggability. Further, effective overall docking scores of all the compounds have been recorded, and docking simulation of compound I into E. coli FabH binding pocket has been conducted, where solid binding interactions has been identified.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Journal of Medicinal Chemistry called Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors, Author is Peng, Yi-Hui; Liao, Fang-Yu; Tseng, Chen-Tso; Kuppusamy, Ramajayam; Li, An-Siou; Chen, Chi-Han; Fan, Yu-Shiou; Wang, Sing-Yi; Wu, Mine-Hsine; Hsueh, Ching-Cheng; Chang, Jia-Yu; Lee, Lung-Chun; Shih, Chuan; Shia, Kak-Shan; Yeh, Teng-Kuang; Hung, Ming-Shiu; Kuo, Ching-Chuan; Song, Jen-Shin; Wu, Su-Ying; Ueng, Shau-Hua, which mentions a compound: 65705-44-4, SMILESS is NC1=NC(C2=CC=C(Br)C=C2)=C(C)S1, Molecular C10H9BrN2S, Related Products of 65705-44-4.

Indoleamine 2,3-dioxygenase (IDO1) inhibitors are speculated to be useful in cancer immunotherapy, but a phase III clin. trial of the most advanced IDO1 inhibitor, epacadostat, did not meet its primary endpoint and was abandoned. In previous work we identified the novel IDO1 inhibitor N-(4-chlorophenyl)-2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide 1 through high-throughput screening (HTS). Herein, we report a structure-activity relationship (SAR) study of this compound, which resulted in the potent IDO1 inhibitor 1-(4-cyanophenyl)-3-(3-(cyclopropylethynyl)imidazo[2,1-b]thiazol-5-yl)thiourea 47 (hIDO IC50 = 16.4 nM). X-ray co-crystal structural anal. revealed that the basis for this high potency is a unique sulfur-aromatic interaction network formed by the thiourea moiety of 47 with the F163 and F226. This finding is expected to inspire new approaches towards the discovery of potent IDO1 inhibitors in the future.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of C10H9BrN2S. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 4-(4-Bromophenyl)-5-methylthiazol-2-amine, is researched, Molecular C10H9BrN2S, CAS is 65705-44-4, about Synthesis and antimicrobial activities of some novel 2,3-substituted-1,3-thiazolidin-4-ones derived from 2-amino-1,3-thiazole. Author is Maher, K..

New 2,3-substituted-1,3-thiazolidin-4-one (6a-f) were prepared by cyclocondensation of 2-[6-(4-chlorobenzyloxy)-2-naphthyliden]-4- (4-substituted phenyl)-5-methyl-1,3-thiazole (5a-f) and mercaptoacetic acid in benzene. The synthesized compounds were characterized on the basis of elemental anal., 1H NMR, 13C NMR and FT-IR. The prepared compounds have been screened in vitro against two Gram- pos. Staphylococcus aureus, Staphylococcus epidermidis, and two Gram-neg. Escherichia coli, Pseudomonas aernuginosa for antibacterial activity and two fungal strains Candida albicans, Candida krusei for antifungal activity using ciprofloxacin, ampicillin and ketoconazole with minimal inhibitory concentration (MIC) value of 10 mcg/L in DMSO. Compounds 6a and 6d showed good antibacterial and antifungal activities compared to reference medications utilized within this study.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Narayanan, Anjana; Chapman, David R.; Upadhyaya, Subhash P.; Bauer, Ludwig published an article about the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9,SMILESS:FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1 ).Recommanded Product: 86404-63-9. 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:86404-63-9) through the article.

1,3-Bis(1H-azol-1-yl)-2-aryl-2-propanols I (A,B = N, CH; Z = halo) were prepared in a one-pot procedure by reacting 1-aryl-2-(1H-1,2,4-triazol-1-yl)- or 1-aryl-2-(1H-imidazol-1-yl)ethanones with dimethylsulfoxonium methide in the presence of either 1,2,4-triazole or imidazole. The aromatic groups in I were either 4-bromo-, 4-chloro-, 2,4-dichloro- or 2,4-difluorophenyl. 4-Amino-4H-1,2,4-triazole was acylated with either benzoyl or 4-toluenesulfonyl chloride to afford [4-(benzoyl or 4-toluenesulfonyl)amino]-4H-1,2,4-triazole. Subsequent alkylations with 4-bromo- or 4-chlorophenacyl bromide produced 1-(4-bromo- or 4-chlorophenacyl)-4-[(benzoyl- or 4-toluenesulfonyl)amino]-1H-1,2,4-triazolium bromides. Neutralizations of these salts provided the corresponding ylides.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Category: triazoles. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Development & validation of stability indicating UPLC method for quantitative estimation of voriconazole and its impurities in drug substance. Author is Katta, Rambabu; Ramasrinivas; Rao, G. N..

Simple and sensitive RP-UPLC method for the separation and quantification of voriconazole and its impurities are described. Samples are analyzed by means of reverse phase (RP-UPLC) using an Acquity UPLC BEH Shield RP18 (2.1mm x 100mm, 1.7μ), and the mobile phase consists of two Channels A and B. Channel-A 0.05% TFA in water and Channel-B: 0.05% TFA in methanol. The flow rate is 0.2 mL/min. The column temperature was maintained at 30°C and sample temperature was maintained at ambient and wavelength fixed at 255nm UVdetection. It is found that the method of RP-UPLC with UV-detection system for the anal. of voriconazole impurities are straight forward and applied in qual. and quant. anal. The developed UPLC method was validated with respect to specificity, precision, linearity, ruggedness and robustness. Validation study compared as per ICH guideline.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Zou, Yan; Zhao, Qingjie; Liao, Jun; Hu, Honggang; Yu, Shichong; Chai, Xiaoyun; Xu, Mingjuan; Wu, Qiuye published an article about the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9,SMILESS:FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1 ).Application In Synthesis of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. 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:86404-63-9) through the article.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols, which are analogs of fluconazole, have been designed and synthesized via Cu(I)-catalyzed azide-alkyne cycloaddition on the basis of computational docking experiments to the active site of the cytochrome P 450 14α-demethylase (CYP51). The in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi. 4-Methylbenzyl-substituted compound I showed the best antifungal activities.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

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: 3222-47-7, is researched, SMILESS is O=C(O)C1=CN=C(C)C=C1, Molecular C7H7NO2Journal, Article, Research Support, Non-U.S. Gov’t, Journal of the American Chemical Society called Catalytic Deoxygenative Coupling of Aromatic Esters with Organophosphorus Compounds, Author is Kurosawa, Miki B.; Isshiki, Ryota; Muto, Kei; Yamaguchi, Junichiro, the main research direction is catalytic deoxygenative coupling aromatic ester organophosphorus compound; diaryl phosphine oxide dialkyl phosphonate preparation.COA of Formula: C7H7NO2.

We have developed a deoxygenative coupling of aromatic esters with diarylphosphine oxides/dialkyl phosphonates under palladium catalysis. In this reaction, aromatic esters can work as novel benzylation reagents to give the corresponding benzylic phosphorus compounds The key of this reaction is the use of Ph esters, an electron-rich diphosphine as a ligand, and sodium formate as a hydrogen source. Arylcarboxylic acids were also applicable in this reaction using (Boc)2O as an additive. Palladium/dcype worked to activate the acyl C-O bond of the ester and to support the reduction with sodium formate.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Four novel Co(II) and Mn(II) coordination polymers with triazolyl derivate: Syntheses, crystal structures and magnetic properties, published in 2009-11-10, which mentions a compound: 86404-63-9, Name is 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Molecular C10H7F2N3O, Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

Four novel coordination polymers, 1-dimensional chains [M(PTE)2(N3)2]n (M = Mn for 1 and Co for 2), and two-dimensional layers [M(PTE)2(dca)2]n (M = Mn for 3 and Co for 4) (PTE = 1-(2,4-difluorophenyl-2-(1H-1,2,4-triazol-1-yl)ethanone), dca = dicyanamide anion, N(CN)2 -), were synthesized under mild ambient conditions and structurally characterized by single crystal x-ray diffraction. In all four crystal structures, the metal atoms adopt octahedral coordination geometry with six N atoms from two monodentate PTE ligands and four azido (or dca) bridging ligands. The crystal structures of 1 and 2 are isostructural 1-dimensional polymeric chains, alternatively linked by double end-on and double end-to-end azido bridges. However, the bent dca ligands as bidentate μ2-1,5 bridging ligands interlink the octahedral metal units to lead to 2-dimensional (4,4) grid networks in 3 and 4. Temperature-dependent magnetic measurements in 2-300 K were performed for these four polymers, and suggest alternative ferro- and antiferromagnetic couplings for end-on and end-to-end azido bridges in 1, and the dominant ferromagnetic coupling in 2, resp. Both polymers 3 and 4 show weak antiferromagnetic exchanges through the μ2-1,5-dca bridges. The effects of auxiliary coligands on the structure and the nature of these magnetic exchanges are discussed in the light of the crystal structures.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics