Tag: M.W:100-200

Electric Literature of C7H7NO2. 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: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Rhodium-catalyzed ortho-Arylation of (Hetero)aromatic Acids. Author is Weber, Philip; Rank, Christian K.; Yalcinkaya, Enis; Dyga, Marco; van Lingen, Tim; Schmid, Rochus; Patureau, Frederic W.; Goossen, Lukas J..

Rhodium acetate effectively promotes the carboxylate-directed ortho-arylation of (hetero)aromatic carboxylic acids ArCOOH (Ar = 2-methylphenyl, 4-methoxythiophen-3-yl, 2-fluoropyridin-3-yl, etc.) with aryl bromides Ar1Br (Ar1 = 4-methylphenyl, 2-naphthyl, 2-methylpyridin-6-yl, etc.) yielded functionalized hetero/aryl carboxylic acids, e.g., I (X = H, Me) and its Me carboxylates. The main advantage of this phosphine-free, redox-neutral method arises from its efficiency in assembling biol. meaningful electron-rich arylpyridines, which are problematic substrates in known C-H arylations using Pd, Ru, and Ir catalysts.

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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, Advanced Synthesis & Catalysis called Rhodium-catalyzed ortho-Arylation of (Hetero)aromatic Acids, Author is Weber, Philip; Rank, Christian K.; Yalcinkaya, Enis; Dyga, Marco; van Lingen, Tim; Schmid, Rochus; Patureau, Frederic W.; Goossen, Lukas J., the main research direction is carboxylate heteroaryl preparation; heteroaryl aryl carboxylic acid preparation regioselective methyl iodide esterification; bromide aryl heteroaryl carboxylic acid arylation.Application In Synthesis of 6-Methylnicotinic acid.

Rhodium acetate effectively promotes the carboxylate-directed ortho-arylation of (hetero)aromatic carboxylic acids ArCOOH (Ar = 2-methylphenyl, 4-methoxythiophen-3-yl, 2-fluoropyridin-3-yl, etc.) with aryl bromides Ar1Br (Ar1 = 4-methylphenyl, 2-naphthyl, 2-methylpyridin-6-yl, etc.) yielded functionalized hetero/aryl carboxylic acids, e.g., I (X = H, Me) and its Me carboxylates. The main advantage of this phosphine-free, redox-neutral method arises from its efficiency in assembling biol. meaningful electron-rich arylpyridines, which are problematic substrates in known C-H arylations using Pd, Ru, and Ir catalysts.

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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 《Generating Multibillion Chemical Space of Readily Accessible Screening Compounds》. Authors are Grygorenko, Oleksandr O.; Radchenko, Dmytro S.; Dziuba, Igor; Chuprina, Alexander; Gubina, Kateryna E.; Moroz, Yurii S..The article about the compound:6-Methylnicotinic acidcas:3222-47-7,SMILESS:O=C(O)C1=CN=C(C)C=C1).Name: 6-Methylnicotinic acid. Through the article, more information about this compound (cas:3222-47-7) is conveyed.

An approach to the generation of ultra-large chem. libraries of readily accessible (‘REAL’) compounds is described. The strategy is based on the use of two- or three-step three-component reaction sequences and available starting materials with pre-validated chem. reactivity. After the preliminary parallel experiments, the methods with at least ~80% synthesis success rate (such as acylation – deprotection – acylation of monoprotected diamines e.g., 1-boc-amino-butyl-3-amine or amide formation e.g., N-(9-acetyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide – click reaction with functionalized azides e.g., 3-(azidomethyl)-piperidine) can be selected and used to generate the target chem. space. It is shown that by using only on the two aforementioned reaction sequences, a nearly 29-billion compound library is easily obtained. According to the predicted physico-chem. descriptor values, the generated chem. space contains large fractions of both drug-like and ‘beyond rule-of-five’ members, whereas the strictest lead-likeness criteria (the so-called Churcher’s rules) are met by the lesser part, which still exceeds 22 million.

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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 Escaping from Flatland: Antimalarial Activity of sp3-Rich Bridged Pyrrolidine Derivatives, the main research direction is pyrrolidine preparation antimalarial activity.Name: 6-Methylnicotinic acid.

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

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 Searching for new agents active against Candida albicans biofilm: A series of indole derivatives, design, synthesis and biological evaluation, published in 2019-03-01, which mentions a compound: 3222-47-7, Name is 6-Methylnicotinic acid, Molecular C7H7NO2, SDS of cas: 3222-47-7.

Candida albicans biofilm represents a major clin. problem due to its intrinsic tolerance to anti-fungal compounds and it has been highly related to infections in catheterized patients. Few compounds are described as able to inhibit biofilm formation or to interfere with preformed biofilm of C. albicans. Here the authors report the in vitro evaluation of anti-biofilm activity on C. albicans ATCC 10231 of a series of new and already known amine and amide indole derivatives Among the studied compounds, fifteen resulted active on C. albicans ATCC 10231 biofilm, with BMIC50 ≤16 μg/mL. Three of them (7, 23 and 33) showed a selectivity towards mature biofilm and the most active of them was the compound 23 (BMIC50 = 4 μg/mL). On the other hands, two different compounds (21 and 22) were selective towards biofilm formation with BMIC50 values of 8 μg/mL. Otherwise, compounds 16 and 17 resulted active on biofilm formation, with BMIC50 of 8 μg/mL and 2 μg/mL resp., and on mature biofilm with BMIC50 of 2 μg/mL. These two last compounds also showed an interesting activity towards the planktonic cells of C. albicans. A selection of the more active compounds was also evaluated on different C. albicans strains (PMC1042, PMC1083 and ATCC 10261), showing a comparable or higher anti-biofilm activity, especially on mature biofilm. In vivo toxicity studies using the Galleria mellonella larvae, were finally carried out on more active indole derivatives, showing that they are poorly toxic even at the highest concentrations tested (500-1000 μg/mL).

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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.Name: 6-Methylnicotinic acid.Grygorenko, Oleksandr O.; Radchenko, Dmytro S.; Dziuba, Igor; Chuprina, Alexander; Gubina, Kateryna E.; Moroz, Yurii S. published the article 《Generating Multibillion Chemical Space of Readily Accessible Screening Compounds》 about this compound( cas:3222-47-7 ) in iScience. Keywords: amide preparation parallel reaction sequence; amine carboxylic acid acylation deprotection; aryl halide amine carboxylic acid acylation deprotection; alkylating agent amine carboxylic acid acylation deprotection alkylation; triazole preparation; carboxylic acid azide alkyne Click reaction; Chemical Compound; Cheminformatics; Computational Chemistry by Subject. Let’s learn more about this compound (cas:3222-47-7).

An approach to the generation of ultra-large chem. libraries of readily accessible (‘REAL’) compounds is described. The strategy is based on the use of two- or three-step three-component reaction sequences and available starting materials with pre-validated chem. reactivity. After the preliminary parallel experiments, the methods with at least ~80% synthesis success rate (such as acylation – deprotection – acylation of monoprotected diamines e.g., 1-boc-amino-butyl-3-amine or amide formation e.g., N-(9-acetyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide – click reaction with functionalized azides e.g., 3-(azidomethyl)-piperidine) can be selected and used to generate the target chem. space. It is shown that by using only on the two aforementioned reaction sequences, a nearly 29-billion compound library is easily obtained. According to the predicted physico-chem. descriptor values, the generated chem. space contains large fractions of both drug-like and ‘beyond rule-of-five’ members, whereas the strictest lead-likeness criteria (the so-called Churcher’s rules) are met by the lesser part, which still exceeds 22 million.

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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: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Solvent-Dependent Chemoselective and Stereoselective Approach to Synthesis of Spiro-γ-Lactams with Potent Anticancer Activity.Recommanded Product: 3222-47-7.

Chemoselective approaches were developed for derivatizing diastereoselective chromanone spiro-γ-lactams through the Michael-type addition by using amide as a weak nucleophile to construct the spiro-carbon center under basic conditions. To expand the scope of this post-Ugi cascade reaction, a new series of oxidized chromone derivatives Iand II [R1 = H, Me, Cl, etc.; R2 = Ph, 2-thienyl, 1,3-benzodioxol-5-yl, etc.; R3 = 2,6-dimethylphenyl, 4-methoxyphenyl, 1-naphthyl, etc.] was synthesized by altering solvent from EtOH to DMF. Compounds II [R1 = H; R2 = 1,3-benzodioxol-5-yl, 4-nitrophenyl; R3 = 2,6-dimethylphenyl] which could be synthesized in one day, demonstrated comparable anticancer activities with legendary anticancer drug paclitaxel in the PANC and U87 cell lines. This methodol. offers a new approach to construct spiro-carbon centers with functionalized chromanones or chromones under mild reaction conditions.

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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 Searching for new agents active against Candida albicans biofilm: A series of indole derivatives, design, synthesis and biological evaluation, published in 2019-03-01, which mentions a compound: 3222-47-7, mainly applied to indole Candida antibiofilm; Candida albicans biofilm; Galleria mellonella; Indole derivatives, Product Details of 3222-47-7.

Candida albicans biofilm represents a major clin. problem due to its intrinsic tolerance to anti-fungal compounds and it has been highly related to infections in catheterized patients. Few compounds are described as able to inhibit biofilm formation or to interfere with preformed biofilm of C. albicans. Here the authors report the in vitro evaluation of anti-biofilm activity on C. albicans ATCC 10231 of a series of new and already known amine and amide indole derivatives Among the studied compounds, fifteen resulted active on C. albicans ATCC 10231 biofilm, with BMIC50 ≤16 μg/mL. Three of them (7, 23 and 33) showed a selectivity towards mature biofilm and the most active of them was the compound 23 (BMIC50 = 4 μg/mL). On the other hands, two different compounds (21 and 22) were selective towards biofilm formation with BMIC50 values of 8 μg/mL. Otherwise, compounds 16 and 17 resulted active on biofilm formation, with BMIC50 of 8 μg/mL and 2 μg/mL resp., and on mature biofilm with BMIC50 of 2 μg/mL. These two last compounds also showed an interesting activity towards the planktonic cells of C. albicans. A selection of the more active compounds was also evaluated on different C. albicans strains (PMC1042, PMC1083 and ATCC 10261), showing a comparable or higher anti-biofilm activity, especially on mature biofilm. In vivo toxicity studies using the Galleria mellonella larvae, were finally carried out on more active indole derivatives, showing that they are poorly toxic even at the highest concentrations tested (500-1000 μg/mL).

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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, N.I.H., Extramural, Science (Washington, DC, United States) called A tautomeric ligand enables directed C-H hydroxylation with molecular oxygen, Author is Li, Zhen; Wang, Zhen; Chekshin, Nikita; Qian, Shaoqun; Qiao, Jennifer X.; Cheng, Peter T.; Yeung, Kap-Sun; Ewing, William R.; Yu, Jin-Quan, which mentions a compound: 3222-47-7, SMILESS is O=C(O)C1=CN=C(C)C=C1, Molecular C7H7NO2, Electric Literature of C7H7NO2.

Hydroxylation of aryl carbon-hydrogen bonds with transition metal catalysts has proven challenging when oxygen is used as the oxidant. Here, we report a palladium complex bearing a bidentate pyridine/pyridone ligand that efficiently catalyzes this reaction at ring positions adjacent to carboxylic acids. IR, x-ray, and computational anal. support a possible role of ligand tautomerization from mono-anionic (L,X) to neutral (L,L) coordination in the catalytic cycle of aerobic carbon-hydrogen hydroxylation reaction. The conventional site selectivity dictated by heterocycles is overturned by this catalyst, thus allowing late-stage modification of compounds of pharmaceutical interest at previously inaccessible sites.

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

Lei, Jie; He, Liu-Jun; Tang, Dian-Yong; Wen, Jingyuan; Yan, Wei; Li, Hong-yu; Chen, Zhong-Zhu; Xu, Zhi-Gang published an article about the compound: 6-Methylnicotinic acid( cas:3222-47-7,SMILESS:O=C(O)C1=CN=C(C)C=C1 ).Application In Synthesis of 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.

Chemoselective approaches were developed for derivatizing diastereoselective chromanone spiro-γ-lactams through the Michael-type addition by using amide as a weak nucleophile to construct the spiro-carbon center under basic conditions. To expand the scope of this post-Ugi cascade reaction, a new series of oxidized chromone derivatives Iand II [R1 = H, Me, Cl, etc.; R2 = Ph, 2-thienyl, 1,3-benzodioxol-5-yl, etc.; R3 = 2,6-dimethylphenyl, 4-methoxyphenyl, 1-naphthyl, etc.] was synthesized by altering solvent from EtOH to DMF. Compounds II [R1 = H; R2 = 1,3-benzodioxol-5-yl, 4-nitrophenyl; R3 = 2,6-dimethylphenyl] which could be synthesized in one day, demonstrated comparable anticancer activities with legendary anticancer drug paclitaxel in the PANC and U87 cell lines. This methodol. offers a new approach to construct spiro-carbon centers with functionalized chromanones or chromones under mild reaction conditions.

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