Month: April 2022

Safety of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single 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 Four novel Co(II) and Mn(II) coordination polymers with triazolyl derivate: Syntheses, crystal structures and magnetic properties. Author is Zhang, Lei; Ling, Yun; Hu, Ai-Xi; Yao, Ting-Ting; Li, Jing.

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

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 Synthesis and biological evaluation of novel thiazole- VX-809 hybrid derivatives as F508del correctors by QSAR-based filtering tools, published in 2018-01-20, which mentions a compound: 65705-44-4, Name is 4-(4-Bromophenyl)-5-methylthiazol-2-amine, Molecular C10H9BrN2S, Related Products of 65705-44-4.

The most common CF mutation, F508del, impairs the processing and gating of CFTR protein. This deletion results in the improper folding of the protein and its degradation before it reaches the plasma membrane of epithelial cells. Present correctors, like VX809 only induce a partial rescue of the mutant protein. Our previous studies reported a class of compounds, called aminoarylthiazoles (AATs), featuring an interesting activity as correctors. Some of them show additive effect with VX-809 (I) indicating a different mechanism of action. In an attempt to construct more interesting mols., it was thought to generate chem. hybrid compounds, blending a portion of VX-809 merged to the thiazole scaffold. This approach was guided by the development of QSAR analyses, which were performed based on the F508del correctors so far disclosed in the literature. This strategy was aimed at exploring the key requirements turning in the corrector ability of the collected derivatives and allowed us to derive a predictive model guiding for the synthesis of novel hybrids as promising correctors. The new mols. were tested in functional and biochem. assays on bronchial CFBE41o-cells expressing F508del-CFTR showing a promising corrector activity.

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

Related Products of 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 Catalytic enantioselective pyridine N-oxidation. Author is Hsieh, Sheng-Ying; Tang, Yu; Crotti, Simone; Stone, Elizabeth A.; Miller, Scott J..

The catalytic, enantioselective N-oxidation of substituted pyridines is described. The approach is predicated on a biomol.-inspired catalytic cycle wherein high levels of asym. induction are provided by aspartic-acid-containing peptides as the aspartyl side chain shuttles between free acid and peracid forms. Desymmetrizations of bis(pyridine) substrates bearing a remote pro-stereogenic center substituted with a group capable of hydrogen bonding to the catalyst are demonstrated. Our approach presents a new entry into chiral pyridine frameworks in a heterocycle-rich mol. environment. Representative functionalizations of the enantioenriched pyridine N-oxides further document the utility of this approach. Demonstration of the asym. N-oxidation in two venerable drug-like scaffolds, Loratadine and Varenicline, show the likely generality of the method for highly variable and distinct chiral environments, while also revealing that the approach is applicable to both pyridines and 1,4-pyrazines.

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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 Design and synthesis of novel triazole antifungal derivatives by structure-based bioisosterism, published in 2011, 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.

The incidence of life-threatening fungal infections is increasing dramatically. In an attempt to develop novel antifungal agents, our previously synthesized phenoxyalkylpiperazine triazole derivatives were used as lead structures for further optimization. By means of structure-based bioisosterism, triazolone was used as a new bioisostere of oxygen atom. This type of bioisosteric replacement can improve the water solubility without loss of hydrogen-bonding interaction with the target enzyme. A series of triazolone-containing triazoles were rationally designed and synthesized. As compared with fluconazole, several compounds showed higher antifungal activity with broader spectrum, suggesting their potential for further evaluations.

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

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.Singh, Vikram; Liu, Shuang; Ma, Pengtao; Drew, Michael G. B.; Wang, Jingping; Niu, Jingyang researched the compound: 6-Methylnicotinic acid( cas:3222-47-7 ).Reference of 6-Methylnicotinic acid.They published the article 《Versatile {Cp2Ti} Grafted Hetero-Polyoxotungstate Clusters: Synthesis, Crystal Structure, and Photocurrent Properties》 about this compound( cas:3222-47-7 ) in Inorganic Chemistry. Keywords: titanocene grafted phosphotungstate cluster preparation crystal mol structure photocurrent; crystal mol structure titanocene grafted phosphotungstate cluster. We’ll tell you more about this compound (cas:3222-47-7).

Polyoxotungstate supported titanocene {Cp2Ti}2+ clusters H6{K8(Cp2Ti)2P4W24O88(PO4)2}·14H2O (1), H6[Na2P4W14O58(Cp2Ti)2]·12H2O (2), and H2[K6{Cp2Ti}{PW9O33(WO2)}2{NC5H3(COOK)2}(NC5H3(CH3)COOK)·22H2O] (3) have been synthesized, and their single crystal x-ray structures have revealed unprecedented and intriguing structural features. The synthesized compounds have been characterized by various spectroscopic techniques including UV-vis, cyclic voltammogram, NMR, ESI-MS, and inductive coupled plasma spectroscopy (ICP) in solution and also by IR, TGA, and diffuse reflectance in the solid state. Clusters 1 and 2 are rare examples of lacunary POM supported titanocene clusters obtained by incorporating various phosphorus heteroatoms to form elusive phosphotungstate assemblies, whereas 3 is an unprecedented organometallic as well as heteroleptic pyridyl functionalized POM. Clusters 1-3 show transient photocurrent ON/OFF behavior upon UV-light irradiation and also exhibit characteristic TiIV/III intravalence electron transfer. This behavior is also established by their cyclic voltammograms in mixed phosphate buffers (Na2HPO4/NaH2PO4) which show the evidence of POM supported {Cp2Ti}2+/+ species in their redox solution Furthermore, ESR line broadening is also observed in these clusters at room temperature, a fact which also confirms the formation of partially reduced/oxidized {Cp2Ti}2+/+ species leading to TiIV/III intravalence electron transfers within all three clusters. The {Cp2Ti}2+ decorated polyoxometalate cluster 3 shows improved transient photocurrent behavior which may be due to the presence of pyridyl carboxyl ions which provide better surface contact for the cluster mol. through the carboxylate moiety to the ITO electrode.

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

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《5-(p-Aminobenzenesulfonamido)thiazole》. Authors are Arnold, M. H. M.; Scaife, C. W..The article about the compound:5-Aminothiazole-2-carbonitrilecas:860182-74-7,SMILESS:N#CC1=NC=C(N)S1).COA of Formula: C4H3N3S. Through the article, more information about this compound (cas:860182-74-7) is conveyed.

5-Amino-2-thiazolethiocarboxamide (I) (chrysean of Wallach, Ber. 7, 902(1874)), m. 204° (decomposition), results in 25-g. yield by passing H2S (20-30 l./hr.) into saturated aqueous NaCN and a little NH4OH for 3-4 hrs.; acidification of the filtrate gives 30-40% (of the NaCN) of a reddish brown precipitate which decomposes on heating with H2O to give H2S and a black alkali-soluble tar. Many other methods were tried with yields not over 15-20%. I (10 g.) and 23.9 g. Pb(OAc)2 in 70 ml. H2O, refluxed 3 hrs., give 5-amino-2-thiazolecarbonitrile (II), m. 103° (Hellsing, Ber. 32, 1497(1899)). If the filtrate containing II is treated with CaCO3 in slight excess above that required to neutralize the AcOH and the mixture is refluxed 2 hrs., there results a good yield of 5-amino-2-thiazolecarboxamide, decomposes 156°. Hydrolysis of II with dilute HCl gives a small yield of 2-amino-2-thiazolecarboxylic acid, decomposes 185°; this could not be decarboxylated to 5-aminothiazole. II and BzH in EtOH give the 5-benzylideneamino compound, light yellow, m. 141°; this and the benzylidene derivative of I are too easily hydrolyzed for this method of protecting the NH2 group to be of any use. Attempts to diazotize I and II in the normal way gave highly colored tars, which appeared to be formed by intermol. condensation; II is diazotized by gradual addition of the solution to excess of HCl and NaNO2 at 0°; I has been diazotized by adding its solution in C5H5N to excess of NOCl in C6H6. I and p-O2NC6H4SO2Cl in C5H5N give the 5-(p-nitrophenylsulfonamido) compound, m. 185° (decomposition); the same derivative of II m. 148°. p-AcNHC6H4SO2Cl and I in C5H5N give the 5-(p-acetamidophenylsulfonamido) compound (III), m., 253-5° (decomposition); shaking with PbCO3 and refluxing the filtrate for 3 hrs. give a moderately good yield of 5-sulfanilamidothiazole (IV), m. 185° (decomposition). III is completely inactive against streptococcal infections and IV, although active, has no advantage over established sulfonamide drugs.

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

Electric Literature of C10H7F2N3O. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Design and synthesis of fluconazole/bile acid conjugate using click reaction. Author is Pore, Vandana S.; Aher, Nilkanth G.; Kumar, Manish; Shukla, Praveen K..

Novel fluconazole/bile acid conjugates I (R1 = H, OH) and II (R2 = H, OH) were designed and their regioselective synthesis was achieved in very high yield via Cu(I) catalyzed intermol. 1,3-dipolar cycloaddition These new mols. showed good antifungal activity against Candida species.

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

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone(SMILESS: FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1,cas:86404-63-9) is researched.Synthetic Route of C6H6N2O. The article 《Novel alkylated azoles as potent antifungals》 in relation to this compound, is published in European Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:86404-63-9).

The synthesis of new FLC derivatives I (R = 2,4-Cl2, 2-F, 3-F, 4-F, etc.; n = 0, 1, 2, 3, 4, 5) along with their antifungal activity against a panel of 13 clin. relevant fungal strains was developed. Also, their toxicity against mammalian cells, their hemolytic activity, as well as their mechanism of action were explored. Overall, many of our FLC derivatives I exhibited broad-spectrum antifungal activity and all compounds displayed an MIC value of <0.03 μg/mL against at least one of the fungal strains tested. Also, they were found to be less hemolytic and less cytotoxic to mammalian cells than the FDA approved antifungal agent amphotericin B. The mechanism of action of compounds has been demonstrated as best derivative for the inhibition of the sterol 14α-demethylase enzyme, involved in ergosterol biosynthesis. In some applications, this compound(86404-63-9)Application In Synthesis of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

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

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 Escaping from Flatland: Antimalarial Activity of sp3-Rich Bridged Pyrrolidine Derivatives, published in 2020-12-10, which mentions a compound: 3222-47-7, mainly applied to pyrrolidine preparation antimalarial activity, SDS of cas: 3222-47-7.

Synthetic photochem. to generate novel sp3-rich scaffolds and report the design, synthesis, and biol. testing of a diverse series of amides based on the 1-(amino-methyl)-2-benzyl-2-aza-bicyclo[2.1.1]hexane scaffold was utilized . Preliminary antimalarial screening of the library provided promising compounds with activity in the 1-5μM range with an enhanced hit rate. Further evaluation (solubility, drug metabolism and pharmacokinetics (DMPK), and toxicity) of a selected compound (9) suggested that this series represents an excellent opportunity for further optimization with the framework offering multiple opportunities for the addition of uniquely vectorally positioned extra functionality.

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

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: 3222-47-7, is researched, Molecular C7H7NO2, about Catalytic Deoxygenative Coupling of Aromatic Esters with Organophosphorus Compounds, the main research direction is catalytic deoxygenative coupling aromatic ester organophosphorus compound; diaryl phosphine oxide dialkyl phosphonate preparation.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