Tag: 100-200

Microbial transformation of nitrogen-containing heterocyclic compounds. I. Hydroxylation of isomeric mono- and dimethylpyridines by microscopic fungi was written by Modyanova, L. V.;Vorob’eva, L. I.;Shibilkina, O. K.;Dovgilevich, E. V.;Terent’ev, P. B.;Kost, A. N.. And the article was included in Biotekhnologiya in 1990.Reference of 1122-71-0 This article mentions the following:

By screening a number of museum microorganism cultures a group of microscopic fungi active in transforming mono- and dimethylpyridines was detected. It is only the Me substituent that undergoes oxidation, not the pyridine ring itself. Peculiarities of oxidative transformation of isomeric mono- and dimethylpyridines to the corresponding hydroxymethylpyridines were elucidated. For methylpyridines the pyridylcarbinol yield was independent of the Me substituent position. For dimethylpyridines only 1 Me group is subjected to hydroxylation, the ratio of the pyridylcarbinols obtained mainly depending on the substituent arrangement in the pyridine ring. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Reference of 1122-71-0).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Reference of 1122-71-0

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Study on catalytic pyrolysis mechanism of seaweed polysaccharide monomer was written by Yuan, Chuan;Jiang, Ding;Wang, Shuang;Barati, Bahram;Gong, Xun;Cao, Bin;Zhang, RuiPing;Zhang, Chuang;Odey, Emmanuel A.. And the article was included in Combustion and Flame in 2020.Formula: C6H14O6 This article mentions the following:

In this study, L-rhamnose monohydrate (LRM) was used as a model compound of seaweed polysaccharide to study its pyrolysis and catalytic pyrolysis mechanism. Initially, the weight loss curve of LRM was obtained by thermogravimetric anal. The main weight loss temperature was found to be at 350-550°C. Then, the pyrolysis mechanism of LRM was analyzed and verified by macroscopic experiments and mol. simulations. Experiments showed that the bio-oil yield was highest when the temperature reached around 500°C, and the bio-oil contained large amount of furan substances. Finally, the effects of different proportions of catalysts (Mg-Ce/ZSM-5) on bio-oil products were studied, and the catalytic reaction mechanism was discussed. In the experiment, the researchers used many compounds, for example, (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate (cas: 10030-85-0Formula: C6H14O6).

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate (cas: 10030-85-0) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Formula: C6H14O6

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Alcohol – Wikipedia,
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^tBuOLi-Promoted Hydroboration of Esters and Epoxides was written by Shi, Yinyin;Wang, Yue;Huang, Zhefan;Zhang, Fangjun;Shao, Yinlin. And the article was included in ACS Omega in 2022.Formula: C7H7ClO This article mentions the following:

Com. available and inexpensive lithium tert-butoxide (tBuOLi) acts as a good precatalyst for the hydroboration of esters, lactones, and epoxides using pinacolborane as a borylation agent. Functional groups such as cyano-, nitro-, amino-, vinyl, and alkynyl are unaffected under the presented hydroboration process, representing high chemoselectivity. This transformation has also been effectively applied to the synthesis of key intermediates of Erlotinib and Cinacalcet. Preliminary investigations of the mechanism show that the hydroboration proceeds through the in situ formed BH₃ species. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Formula: C7H7ClO).

(4-Chlorophenyl)methanol (cas: 873-76-7) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Formula: C7H7ClO

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Alcohol – Wikipedia,
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Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease was written by Dampalla, Chamandi S.;Rathnayake, Athri D.;Galasiti Kankanamalage, Anushka C.;Kim, Yunjeong;Perera, Krishani Dinali;Nguyen, Harry Nhat;Miller, Matthew J.;Madden, Trent K.;Picard, Hunter R.;Thurman, Hayden A.;Kashipathy, Maithri M.;Liu, Lijun;Battaile, Kevin P.;Lovell, Scott;Chang, Kyeong-Ok;Groutas, William C.. And the article was included in Journal of Medicinal Chemistry in 2022.Synthetic Route of C9H17NO3 This article mentions the following:

The worldwide impact of the ongoing COVID-19 pandemic on public health has made imperative the discovery and development of direct-acting antivirals aimed at targeting viral and/or host targets. SARS-CoV-2 3C-like protease (3CL^pro) has emerged as a validated target for the discovery of SARS-CoV-2 therapeutics because of the pivotal role it plays in viral replication. We describe herein the structure-guided design of highly potent inhibitors of SARS-CoV-2 3CL^pro that incorporate in their structure novel spirocyclic design elements aimed at optimizing potency by accessing new chem. space. Inhibitors of both SARS-CoV-2 3CL^pro and MERS-CoV 3CL^pro that exhibit nM potency and high safety indexes have been identified. The mechanism of action of the inhibitors and the structural determinants associated with binding were established using high-resolution cocrystal structures. In the experiment, the researchers used many compounds, for example, 1-Boc-Azetidine-3-yl-methanol (cas: 142253-56-3Synthetic Route of C9H17NO3).

1-Boc-Azetidine-3-yl-methanol (cas: 142253-56-3) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Synthetic Route of C9H17NO3

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Acetoacetyl-CoA reductase PhaB as an excellent anti-Prelog biocatalyst for the synthesis of chiral β-hydroxyl ester and the molecular basis of its catalytic performance was written by Wang, Ting;Yang, Ke;Tian, Qing;Han, Ruiting;Zhang, Xuanshuo;Li, Aipeng;Zhang, Lianbing. And the article was included in Molecular Catalysis in 2021.HPLC of Formula: 120121-01-9 This article mentions the following:

Acetoacetyl-CoA reductase PhaB turned out to be capable of catalyzing the anti-Prelog asym. reduction of various β-ketoesters (1a-12a) and aromatic ketones (13a-29a). Particularly, PhaB showed high specific activity and excellent stereoselectivity (93.0%-99.8% eep) toward β-ketoesters. The specific activity of PhaB toward Et 4-chloroacetoacetate 11a was up to 1302.2 mU/mg. The mol. basis anal. showed the rotatable single bonds in β-ketoesters endow them with a high degree of structural flexibility and adaptability. Thus, β-ketoesters could quickly adjust their conformation and further form a productive conformation in the narrow substrate-binding pocket of the enzyme. In contrast, PhaB exhibited low specific activity and stereoselectivity toward the majority of aromatic ketones. The large steric hindrance and rigid structure resulted from aromatic rings made the aromatic ketones impossible to adjust their conformation as conveniently as β-ketoesters. Furthermore, it was found the halogen bond was the major driven force of the high specific activity of PhaB toward chlorinated β-ketoesters (10a and 11a), while the distribution of enzyme-substrate interactions was an important factor determining the enzyme activity besides the steric hindrance. Moreover, the geometric configuration of the substrate and the enzyme substrate-binding pocket played critical roles in determining the substrate binding mode and the enzyme stereoselectivity. In the experiment, the researchers used many compounds, for example, (R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9HPLC of Formula: 120121-01-9).

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.HPLC of Formula: 120121-01-9

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Carvacrol protects against carbonyl osmolyte-induced structural modifications and aggregation to serum albumin: Insights from physicochemical and molecular interaction studies was written by Ahmad, Saheem;Nabi, Rabia;Alvi, Sahir Sultan;Khan, Mahvish;Khan, Saif;Khan, Mohd. Yasir;Hussain, Imran;Shahanawaz, S. D.;Khan, M. Salman. And the article was included in International Journal of Biological Macromolecules in 2022.Formula: C10H14O This article mentions the following:

The robust use of osmolytes (i.e., polyols and sugars) in the key therapeutic regimens/formulations has questioned their impact beyond the stability of therapeutic proteins as these osmolytes trigger structural alterations into proteins including misfolding and subsequent aggregation into amyloid fibrils. Therefore, the current study is the first to delineate the inhibitory effect of carvacrol (CRV) on the carbonyl osmolyte-induced aggregation as well as structural alterations to the bovine serum albumin (BSA) via a set of physicochem. as well as artificial intelligence (AI)-based mol. docking studies. Our initial findings from physicochem. investigations revealed that CRV exhibits substantial protection to BSA under carbonyl osmolyte stress as evident by the compromised hyperchromicity, Schiff′s bases, carbonyl and hydroxymethyl furfural content, reduced fluorescent signals, low Rayleigh scattering and prevention of covalent modifications at Lys and Arg residues. The protection against aggregate formation by CRV was further confirmed through the reduced amyloid-specific congo red absorbance as well as fluorescent signals recorded after adding the fibril-specific extrinsic fluorophore probes (i.e., ThT and ANS). The AI-based mol. docking anal. further revealed that CRV (ΔG: -4.96 kcal/mol) competes with D-fructose (ΔG: -4.40 kcal/mol) to mask the Lys and Arg residues to restrict the osmolyte-mediated protein modifications. In conclusion, CRV exhibits substantial protective impact against carbonyl osmolyte-induced structural alterations and protein misfolding and aggregation. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Formula: C10H14O).

5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Formula: C10H14O

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Analyzing and assigning carbon-13 chemical shift tensors in α-L-rhamnose monohydrate single crystals was written by Liu, Fang;Phung, Cu G.;Alderman, D. W.;Grant, David M.. And the article was included in Journal of Magnetic Resonance, Series A in 1996.Name: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate This article mentions the following:

The carbon-13 chem.-shift tensors of α-L-rhamnose (6-deoxy-L-mannose) monohydrate (C₈H₁₂O₅·H₂O [10030-85-0]) are measured using two-dimensional chem.-shift correlation spectroscopy. The tensors and the orientation of the 2-fold axis along the b crystallog. axis in the sample frame were obtained by symmetry-constrained fitting of the data. Ab initio gauge invariant AO computations of the chem. shielding are then used to assign the tensors to the carbons in the rhamnose mol. and to the two mols. in the unit cell. These computations are also used to find the direction of the b crystallog. axis along the 2-fold axis and to make initial estimates of the a and c crystallog. axes in the sample. The final a and c crystallog. axes are then determined with a 2-dimensional dipolar spectrum. A 2nd independent method, 1-dimensional spectra taken with the applied field along directions perpendicular to the (011), the (110), and the (100) crystallog. planes, was used to confirm the result. In the experiment, the researchers used many compounds, for example, (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate (cas: 10030-85-0Name: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate).

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate (cas: 10030-85-0) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Name: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Vibrational dynamics of glass forming: 2-phenylbutan-1-ol (BEP), 2-(trifluoromethyl)phenethyl alcohol (2TFMP) and 4-(trifluoromethyl)phenethyl alcohol (4TFMP) in their thermodynamic phases was written by Juszynska-Galazka, Ewa;Zajac, Wojciech;Saito, Kazuya;Yamamura, Yasuhisa;Jurus, Natalia. And the article was included in Phase Transitions in 2018.Application In Synthesis of 2-(Trifluoromethyl)phenethyl alcohol This article mentions the following:

The complex polymorphism and vibrational dynamics of three glass-forming single-phenyl-ring alcs. (with and without fluorine atoms) have been studied by complementary methods. Glass of isotropic liquid phase and cold crystallization of metastable supercooled liquid state were detected. Temperature investigations of vibrational motions show important role of hydrogen bonds in interactions between mols. Theor. calculations for isolated mol., as well as dimer- and tetramer-type aggregates of non-covalently bound mols., allow for a good description of exptl. spectra. Intermol. interactions of mols. with ortho and para positions of CF₃ group in Ph ring have a similar influence on the spectra observed In the experiment, the researchers used many compounds, for example, 2-(Trifluoromethyl)phenethyl alcohol (cas: 94022-96-5Application In Synthesis of 2-(Trifluoromethyl)phenethyl alcohol).

2-(Trifluoromethyl)phenethyl alcohol (cas: 94022-96-5) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Application In Synthesis of 2-(Trifluoromethyl)phenethyl alcohol

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Alcohol – Wikipedia,
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Variations in biochemical characteristics of Zataria multiflora in response to foliar application of zinc nano complex formed on pomace extract of Punica granatum was written by Bahmanzadegan, Atefeh;Tavallali, Hossein;Tavallali, Vahid;Karimi, Mohammad Ali. And the article was included in Industrial Crops and Products in 2022.Related Products of 499-75-2 This article mentions the following:

The purpose of this study was to see how green synthesized zinc nanostructure (Zn NS) applied to the leaves of Zataria multiflora Boiss. affected the plants essential oil constituents, antioxidant activity, phenolic compounds, total phenolic, flavonoid, carotenoid, chlorophyll and anthocyanin contents. A completely randomized block design was used in this experiment The zinc chelate (Zn-EDTA) was compared to foliar application of Zn NS fertilizer at three dosages (0, 100, and 300 mgL-1). There was no significant difference on Zn content between Zn NS fertilizer with pomace extract at 100 and 300 mg L-1 concentrations In contrast to Zn-EDTA and control plants, fertilization with Zn nano-fertilizer at 300 mgL-1 resulted in substantial essential oil production and major constituent of linalool. As shown in the findings, various sources of zinc fertilizer considerably increased oxygenated monoterpenes content. Other analyzed phytochem. attributes changed significantly with Zn nano-fertilizer, with the maximum level of evaluated phytochem. parameters observed at a dosage of 300 mgL-1 when compared to the untreated reference Furthermore, we discovered a favorable relationship between phytochem. characteristics. According to the findings of this study, green synthesized Zn NS has a substantial impact on all biochem. parameters. It may be inferred that Zn NS must be applied to the leaves of Z. multiflora to improve quality and quantity. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Related Products of 499-75-2).

5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Related Products of 499-75-2

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Alcohol – Wikipedia,
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Antiparasitic effects of three floral volatiles on trypanosomatid infection in honey bees was written by Palmer-Young, Evan C.;Markowitz, Lindsey M.;Grubbs, Kyle;Zhang, Yi;Corona, Miguel;Schwarz, Ryan;Chen, Yanping;Evans, Jay D.. And the article was included in Journal of Invertebrate Pathology in 2022.Application of 499-75-2 This article mentions the following:

Trypanosomatid gut parasites are common in pollinators and costly for social bees. The recently described honey bee trypanosomatid Lotmaria passim is widespread, abundant, and correlated with colony losses in some studies. The potential for amelioration of infection by antimicrobial plant compounds has been thoroughly studied for closely related trypanosomatids of humans and is an area of active research in bumble bees, but remains relatively unexplored in honey bees. We recently identified several floral volatiles that inhibited growth of L. passim in vitro. Here, we tested the dose-dependent effects of four such compounds on infection, mortality, and food consumption in parasite-inoculated honey bees. We found that diets containing the monoterpenoid carvacrol and the phenylpropanoids cinnamaldehyde and eugenol at > 10-fold the inhibitory concentrations for cell cultures reduced infection, with parasite numbers decreased by > 90 % for carvacrol and cinnamaldehyde and > 99 % for eugenol; effects of the carvacrol isomer thymol were non-significant. However, both carvacrol and eugenol also reduced bee survival, whereas parasite inoculation did not, indicating costs of phytochem. exposure that could exceed those of infection itself. To our knowledge, this is the first controlled screening of phytochems. for effects on honey bee trypanosomatid infection, identifying potential treatments for managed bees afflicted with a newly characterized, cosmopolitan intestinal parasite. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Application of 499-75-2).

5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Application of 499-75-2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts