Category: 3222-47-7

Computed Properties of C7H7NO2. 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: 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.

After consulting a lot of data, we found that this compound(3222-47-7)Computed Properties of C7H7NO2 can be used in many types of reactions. And in most cases, this compound has more advantages.

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

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6-Methylnicotinic acid( cas:3222-47-7 ) is researched.Application In Synthesis of 6-Methylnicotinic acid.Kopriva, Ivica; Jeric, Ivanka; Hadzija, Marijana Popovic; Hadzija, Mirko; Lovrencic, Marijana Vucic published the article 《Non-negative Least Squares Approach to Quantification of 1H Nuclear Magnetic Resonance Spectra of Human Urine》 about this compound( cas:3222-47-7 ) in Analytical Chemistry (Washington, DC, United States). Keywords: non neg least squares method NMR spectra; urine analysis diabetes type two. Let’s learn more about this compound (cas:3222-47-7).

Because of its quant. character and capability for high-throughput screening, 1H NMR (NMR) spectroscopy is used extensively in the profiling of biofluids such as urine and blood plasma. However, the narrow frequency bandwidth of 1H NMR spectroscopy leads to a severe overlap of the spectra of components present in the complex mixtures such as biofluids. Therefore, 1H NMR-based metabolomics anal. is focused on targeted studies related to concentrations of the small number of metabolites. Here, we propose a library-based approach to quantify proportions of overlapping metabolites from 1H NMR mixture spectra. The method boils down to the linear non-neg. least squares (NNLS) problem, whereas proportions of the pure components contained in the library stand for the unknowns. The method is validated on an estimation of the proportions of (i) the 78 pure spectra, presumably related to type 2 diabetes mellitus (T2DM), from their synthetic linear mixture; (ii) metabolites present in 62 1H NMR spectra of urine of subjects with T2DM and 62 1H NMR spectra of urine of control subjects. In both cases, the inhouse library of 210 pure component 1H NMR spectra represented the design matrix in the related NNLS problem. The proposed method pinpoints 63 metabolites that in a statistically significant way discriminate the T2DM group from the control group and 46 metabolites discriminating control from the T2DM group. For several T2DM-discriminative metabolites, we prove their presence by independent anal. determination or by pointing out the corresponding findings in the published literature.

After consulting a lot of data, we found that this compound(3222-47-7)Application In Synthesis of 6-Methylnicotinic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

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 Functionalisation of esters via 1,3-chelation using NaOtBu: mechanistic investigations and synthetic applications, published in 2021, which mentions a compound: 3222-47-7, mainly applied to ester transesterification deesterification chelation mechanistic synthetic application, Safety of 6-Methylnicotinic acid.

For the first time, both 1,3-chelation and the formation of a tetrahedral intermediate were confirmed as the key factors for the unusual nucleophilic behavior of a metal t-butoxide in a transesterification reaction. NMR and real-time IR spectroscopies and deuterium-labeling experiments were used for the mechanistic investigation. Based on a pivotal point in the mechanistic understanding of the action of t-butoxide anion, several uncovering reactions such as direct access to value-added chiral α-amino acid t-Bu ester with almost complete retention of optical purity via elaborative transesterification, non-hydrolytic deesterification of esters, and selective bond cleavage of 3-benzoyloxazolidin-2-ones, were successfully achieved.

The article 《Functionalisation of esters via 1,3-chelation using NaOtBu: mechanistic investigations and synthetic applications》 also mentions many details about this compound(3222-47-7)Safety of 6-Methylnicotinic acid, you can pay attention to it, because details determine success or failure

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, N.I.H., Extramural, Journal of Biological Chemistry called The small molecule GAT1508 activates brain-specific GIRK1/2 channel heteromers and facilitates conditioned fear extinction in rodents, Author is Xu, Yu; Cantwell, Lucas; Molosh, Andrei I.; Plant, Leigh D.; Gazgalis, Dimitris; Fitz, Stephanie D.; Dustrude, Erik T.; Yang, Yuchen; Kawano, Takeharu; Garai, Sumanta; Noujaim, Sami F.; Shekhar, Anantha; Logothetis, Diomedes E.; Thakur, Ganesh A., which mentions a compound: 3222-47-7, SMILESS is O=C(O)C1=CN=C(C)C=C1, Molecular C7H7NO2, HPLC of Formula: 3222-47-7.

G-protein- gated inwardly-rectifying K+ (GIRK) channels are targets of Gi/o-protein-signaling systems that inhibit cell excitability. GIRK channels exist as homotetramers (GIRK2 and GIRK4) or heterotetramers with nonfunctional homomeric subunits (GIRK1 and GIRK3). Although they have been implicated in multiple conditions, the lack of selective GIRK drugs that discriminate among the different GIRK channel subtypes has hampered investigations into their precise physiol. relevance and therapeutic potential. Here, we report on a highly-specific, potent, and efficacious activator of brain GIRK1/2 channels. Using a chem. screen and electrophysiol. assays, we found that this activator, the bromothiophene-substituted small mol. GAT1508, is specific for brain-expressed GIRK1/2 channels rather than for cardiac GIRK1/4 channels. Computational models predicted a GAT1508- binding site validated by exptl. mutagenesis experiments, providing insights into how urea-based compounds engage distant GIRK1 residues required for channel activation. Furthermore, we provide computational and exptl. evidence that GAT1508 is an allosteric modulator of channel-phosphatidylinositol 4,5-bisphosphate interactions. Through brain-slice electrophysiol., we show that subthreshold GAT1508 concentrations directly stimulate GIRK currents in the basolateral amygdala (BLA) and potentiate baclofen-induced currents. Of note, GAT1508 effectively extinguished conditioned fear in rodents and lacked cardiac and behavioral side effects, suggesting its potential for use in pharmacotherapy for post-traumatic stress disorder. In summary, our findings indicate that the small mol. GAT1508 has high specificity for brain GIRK1/2 channel subunits, directly or allosterically activates GIRK1/2 channels in the BLA, and facilitates fear extinction in a rodent model.

The article 《The small molecule GAT1508 activates brain-specific GIRK1/2 channel heteromers and facilitates conditioned fear extinction in rodents》 also mentions many details about this compound(3222-47-7)HPLC of Formula: 3222-47-7, you can pay attention to it or contacet with the author([email protected]; [email protected]; [email protected]) to get more information.

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

Wu, Jin; Xia, Wu; Lan, Minhuan; Xing, Xue-Jian; Hu, Jun-Chao; Huang, Li; Liu, Jing; Ren, Ying-Yi; Liu, Hongfang; Wang, Feng published an article about the compound: 6-Methylnicotinic acid( cas:3222-47-7,SMILESS:O=C(O)C1=CN=C(C)C=C1 ).Recommanded Product: 6-Methylnicotinic acid. 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:3222-47-7) through the article.

An artificial photosynthetic assembly (APA) of a hollow-rod structure was successfully constructed by using synthetic building blocks to mimic the structure and function of natural photosynthetic bacteria. The APA was formed by the incorporation of carbon nanoparticles as light harvesters into an enzyme-like polymer, PEI-Co, containing cobalt complexes as redox catalytic centers. The APA features a bacteria-like shape of ca. 2-3 μm length rods and a hollow structure positioning photosynthetic components at the surface. The APA integrates key components, the light harvester, redox catalyst, and proton relay group, of photosynthetic systems in assemblies formed from a polymeric framework. The APA system in aqueous solution converts protons to H2 under visible light irradiation with obvious advantages. It exhibits a 50-fold improvement in hydrogen production activity and has a broader pH response of photocatalytic H2 production compared with a non-assembled system.

After consulting a lot of data, we found that this compound(3222-47-7)Recommanded Product: 6-Methylnicotinic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

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.

Although many compounds look similar to this compound(3222-47-7)COA of Formula: C7H7NO2, numerous studies have shown that this compound(SMILES:O=C(O)C1=CN=C(C)C=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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.

After consulting a lot of data, we found that this compound(3222-47-7)HPLC of Formula: 3222-47-7 can be used in many types of reactions. And in most cases, this compound has more advantages.

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

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.

After consulting a lot of data, we found that this compound(3222-47-7)Reference of 6-Methylnicotinic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

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

HPLC of Formula: 3222-47-7. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Structure-activity relationship studies of tolfenpyrad reveal subnanomolar inhibitors of Haemonchus contortus development. Author is Le, Thuy G.; Kundu, Abhijit; Ghoshal, Atanu; Nguyen, Nghi H.; Preston, Sarah; Jiao, Yaqing; Ruan, Banfeng; Xue, Lian; Huang, Fei; Keiser, Jennifer; Hofmann, Andreas; Chang, Bill C. H.; Garcia-Bustos, Jose; Wells, Timothy N. C.; Palmer, Michael J.; Jabbar, Abdul; Gasser, Robin B.; Baell, Jonathan B..

Recently, we have discovered that the registered pesticide, tolfenpyrad, unexpectedly and potently inhibits the development of the L4 larval stage of the parasitic nematode Haemonchus contortus with an IC50 value of 0.03 μM while displaying good selectivity, with an IC50 of 37.9 μM for cytotoxicity. As a promising mol. template for medicinal chem. optimization, we undertook anthelmintic structure-activity relationships for this chem. Modifications of the left-hand side (LHS), right-hand side (RHS), and middle section of the scaffold were explored to produce a set of 57 analogs. Analogs I, II, and III were shown to be the most potent compounds of the series, with IC50 values at a subnanomolar level of potency against the chemotherapeutically relevant fourth larval (L4) stage of H. contortus. Selected compounds from the series also showed promising activity against a panel of other different parasitic nematodes, such as hookworms and whipworms.

Although many compounds look similar to this compound(3222-47-7)HPLC of Formula: 3222-47-7, numerous studies have shown that this compound(SMILES:O=C(O)C1=CN=C(C)C=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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, ACS Medicinal Chemistry Letters called Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable RORγt Inverse Agonists, Author is Nakajima, Ryota; Oono, Hiroyuki; Sugiyama, Sakae; Matsueda, Yohei; Ida, Tomohide; Kakuda, Shinji; Hirata, Jun; Baba, Atsushi; Makino, Akito; Matsuyama, Ryo; White, Ryan D.; Wurz, Ryan Ρ.; Shin, Youngsook; Min, Xiaoshan; Guzman-Perez, Angel; Wang, Zhulun; Symons, Antony; Singh, Sanjay K.; Mothe, Srinivasa Reddy; Belyakov, Sergei; Chakrabarti, Anjan; Shuto, Satoshi, the main research direction is nuclear receptor RORyt triazolopyridine inverse agonist SAR pharmacokinetics.Application In Synthesis of 6-Methylnicotinic acid.

The retinoic acid receptor-related orphan nuclear receptor γt (RORγt), a promising therapeutic target, is a major transcription factor of genes related to psoriasis pathogenesis such as interleukin (IL)-17A, IL-22, and IL-23R. On the basis of the X-ray cocrystal structure of RORγt with 1a, an analog of the known piperazine RORγt inverse agonist 1, triazolopyridine derivatives of 1 were designed and synthesized, and analog 3a was found to be a potent RORγt inverse agonist. Structure-activity relationship studies on 3a, focusing on the treatment of its metabolically unstable cyclopentyl ring and the central piperazine core, led to a novel analog, namely, 6-methyl-N-(7-methyl-8-(((2S,4S)-2-methyl-1-(4,4,4-trifluoro-3-(trifluoromethyl)butanoyl)piperidin-4-yl)oxy)[1,2,4]triazolo[1,5-a]pyridin-6-yl)nicotinamide (5a), which exhibited strong RORγt inhibitory activity and a favorable pharmacokinetic profile. Moreover, the in vitro and in vivo evaluation of 5a in a human whole-blood assay and a mouse IL-18/23-induced cytokine expression model revealed its robust and dose-dependent inhibitory effect on IL-17A production

Although many compounds look similar to this compound(3222-47-7)Application In Synthesis of 6-Methylnicotinic acid, numerous studies have shown that this compound(SMILES:O=C(O)C1=CN=C(C)C=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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