Author: tianli

Drug repurposing for candidate SARS-CoV-2 main protease inhibitors by a novel in silico method was written by Sencanski, Milan;Perovic, Vladimir;Pajovic, Snezana B.;Adzic, Miroslav;Paessler, Slobodan;Glisic, Sanja. And the article was included in Molecules in 2020.Category: alcohols-buliding-blocks This article mentions the following:

The SARS-CoV-2 outbreak caused an unprecedented global public health threat, having a high transmission rate with currently no drugs or vaccines approved. An alternative powerful addnl. approach to counteract COVID-19 is in silico drug repurposing. The SARS-CoV-2 main protease is essential for viral replication and an attractive drug target. In this study, we used the virtual screening protocol with both long-range and short-range interactions to select candidate SARS-CoV-2 main protease inhibitors. First, the Informational spectrum method applied for small mols. was used for searching the Drugbank database and further followed by mol. docking. After in silico screening of drug space, we identified 57 drugs as potential SARS-CoV-2 main protease inhibitors that we propose for further exptl. testing. In the experiment, the researchers used many compounds, for example, (Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol (cas: 128607-22-7Category: alcohols-buliding-blocks).

(Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol (cas: 128607-22-7) 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. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Regioselective hydrosilylation of epoxides catalysed by nickel(II) hydrido complexes was written by Wenz, Jan;Wadepohl, Hubert;Gade, Lutz H.. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2017.Formula: C9H9F3O This article mentions the following:

Bench-stable nickel fluoride complexes bearing chiral substituted bis(oxazolinylisopropylidene)pyrrole NNN-pincer ligands were employed as precursors for the regioselective hydrosilylation of epoxides at room temperature A nickel hydride assisted epoxide opening is followed by the cleavage of the newly formed Ni-O bond by σ-bond metathesis with a silane. In the experiment, the researchers used many compounds, for example, 2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6Formula: C9H9F3O).

2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. 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.Formula: C9H9F3O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fluorinated solvent-assisted photocatalytic aerobic oxidative amidation of alcohols via visible-light-mediated HKUST-1/Cs-POMoW catalysis was written by Karimi, Meghdad;Sadeghi, Samira;Mohebali, Haleh;Azarkhosh, Zahra;Safarifard, Vahid;Mahjoub, Alireza;Heydari, Akbar. And the article was included in New Journal of Chemistry in 2021.Category: alcohols-buliding-blocks This article mentions the following:

Considering the irreplaceable importance of photocatalytic functionalization reactions and the widespread attention paid to the use of metal-organic frameworks, especially their modified variants, for this purpose in recent years, different types of HKUST-1/POMoW composites were prepared through the immobilization of a series of Keggin-type polyoxometalates (POMs; POW = H₃PW₁₂O₄₀, POMo = H₃PMo₁₂O₄₀, and POMoW = H₃PMo₆W₆O₄₀) on HKUST-1 as a metal-organic framework (HKUST-1; Cu₃(1,3,5-benzenetricarboxilicacid)₂). Then, to produce HKUST-1/Cs-POM, the substitution of H⁺ cations with Cs⁺ ones as counter cations was carried out. The prepared composites were fully characterized with the PXRD (powder X-ray diffraction), FT-IR (Fourier transform IR spectroscopy), BET and BJH (sorption of N₂), TGA (thermo-gravimetric anal.), SEM (SEM), EDX (energy dispersive X-ray), TEM (transmission electron microscopy), UV-vis DRS (diffuse reflectance UV-vis spectroscopy), photoluminescence (PL) spectroscopy and ICP-AES (inductively coupled plasma at. emission spectroscopy) techniques. The great importance of the amide functional group and the attractiveness of photocatalytic oxidative functionalization reactions led us to study the formation of this functional group using the prepared catalytic system in line with our previous research in this field. The HKUST-1/Cs-POMoW composite showed a raised photocatalytic performance compared to the discrete components, HKUST-1 and Cs-POMs, in aerobic oxidative amidation of alcs. under illumination with visible light, owing to the presence of catalytically active Cs-POMs deposited on the MOF particles. Besides, the combination of composite components mitigated the recombination rate of the electron-hole pairs, raising its photocatalytic activity. The attractiveness of fluorine solvents for oxidation reactions has led to the study of their role in the efficiency of oxidative amidation of alcs. and their significant effect on the efficiency of the process has been confirmed. The Cu-MOF/POM catalyst showed excellent stability during the reaction, and no significant decrease in its ability was observed during five consecutive cycles. In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3Category: alcohols-buliding-blocks).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) 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. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Iridium-catalyzed α-selective deuteration of alcohols was written by Itoga, Moeko;Yamanishi, Masako;Udagawa, Taro;Kobayashi, Ayane;Maekawa, Keiko;Takemoto, Yoshiji;Naka, Hiroshi. And the article was included in Chemical Science in 2022.Electric Literature of C7H6Cl2O This article mentions the following:

The α-selective, iridium(III)-bipyridonate-catalyzed hydrogen(H)/deuterium(D) isotope exchange of alcs. using deuterium oxide (D₂O) as the primary deuterium source to afford deuterated alcs. RCD₂OH [R = Ph, 2-MeC₆H₄, 4-FC₆H₄, etc.], R¹DCOHR² [R¹ = Ph, 4-ClC₆H₄, 4-BrC₆H₄, etc.; R² = Me, cyclopropyl, Ph] was reported. This method enabled the direct, chemoselective deuteration of primary and secondary alcs. under basic or neutral conditions without being affected by coordinative functional groups such as imidazole and tetrazole. Successful substrates for deuterium labeling include the pharmaceuticals losartan potassium, rapidosept, guaifenesin and diprophylline. The deuterated losartan potassium showedhigher stability toward the metabolism by CYP2C9 than the protiated analog. Kinetic and DFT studies indicated that the direct deuteration proceeded through dehydrogenation of alc. to the carbonyl intermediate, conversion of [IrIII-H] to [IrIII-D] with D2O, and deuteration of the carbonyl intermediate to give the α-deuterated products. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8Electric Literature of C7H6Cl2O).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Electric Literature of C7H6Cl2O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Conversion of a PROTAC Mutant Huntingtin Degrader into Small-Molecule Hydrophobic Tags Focusing on Drug-like Properties was written by Hirai, Keigo;Yamashita, Hiroko;Tomoshige, Shusuke;Mishima, Yugo;Niwa, Tatsuya;Ohgane, Kenji;Ishii, Mayumi;Kanamitsu, Kayoko;Ikemi, Yui;Nakagawa, Shinsaku;Taguchi, Hideki;Sato, Shinichi;Hashimoto, Yuichi;Ishikawa, Minoru. And the article was included in ACS Medicinal Chemistry Letters in 2022.Related Products of 111-46-6 This article mentions the following:

The onset of neurodegenerative disorders (NDs), such as Alzheimer’s disease, is associated with the accumulation of aggregates of misfolded proteins. We previously showed that chem. knockdown of ND-related aggregation-prone proteins can be achieved by proteolysis targeting chimeras (PROTACs). However, hetero-bifunctional PROTACs generally show poor permeability into the central nervous system, where NDs are located. Here, we document the conversion of one of our PROTACs into hydrophobic tags (HyTs), another class of degraders bearing hydrophobic degrons. This conversion decreases the mol. weight and the number of hydrogen bond donors/acceptors. All the developed HyTs lowered the level of mutant huntingtin, an aggregation-prone protein, with potency comparable to that of the parent PROTAC. Through IAM chromatog. anal. and in vivo brain penetration assay of the HyTs, we discovered a brain-permeable HyT. Our results and mechanistic anal. indicate that conversion of protein degraders into HyTs could be a useful approach to improve their drug-like properties. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Related Products of 111-46-6).

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) 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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Related Products of 111-46-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Entangled nanofibrous copper: an efficient and high performance nanostructured catalyst in azide-alkyne cycloaddition reaction and reduction of nitroarenes and aromatic aldehydes was written by Saghanezhad, Seyyed Jafar;Buhamidi, Maryam Mozafari;Ebadi, Soghra;Taheri, Narges;Sayyahi, Soheil. And the article was included in Reaction Kinetics, Mechanisms and Catalysis in 2021.SDS of cas: 1777-82-8 This article mentions the following:

In this research, nanofibrous copper (0) was utilized as an efficient nanostructured catalyst in Azide-Alkyne Cycloaddition reaction, reduction of nitrobenzenes to anilines and reduction of aromatic aldehydes to benzyl alcs. Nanofibrous copper was prepared via dealloying of Cu-Zn powder and was characterized by SEM, TEM, XRD, BET and EDS analyses. This catalyst produced very good results including high product yield, short reaction time and recyclability. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8SDS of cas: 1777-82-8).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) 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. 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.SDS of cas: 1777-82-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A recipe for new organometallic polymers and oligomers? Synthesis and structure of an oligo- and a polymeric arrangement of P-S anions was written by Rothenberger, Alexander;Shafaei-Fallah, Maryam;Shi, Weifeng. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2007.HPLC of Formula: 29364-29-2 This article mentions the following:

A route to organometallic polymers and oligomers is described using metal complexes with P/S-ligands as examples. When Davy’s reagent is suspended in THF and reacted with silver thiolates in the presence of the dppe (dppe = 1,2-bis(diphenylphosphino)ethane), a clear solution is obtained. Within 3 wk, colorless crystals [Ag₂₄(PS₄)(ⁱPrSPS₃)₄{S(tol)}₁₂(dppe)₆](S_iPr) (1; tol = 4-methylphenyl) were formed. Another attempt was made to generate P/S anions. When the filtrate of a reaction of P₂S₅ and NaS^tBu was layered with hexane, crystals of the 2D-polymer [Na₂(S₃PS^tBu)(dme)]_n (2; dme = 1,2-dimethoxymethane) were obtained. In the experiment, the researchers used many compounds, for example, Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2HPLC of Formula: 29364-29-2).

Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2) 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. 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.HPLC of Formula: 29364-29-2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zinc Stabilized Azo-anion Radical in Dehydrogenative Synthesis of N-Heterocycles. An Exclusively Ligand Centered Redox Controlled Approach was written by Das, Siuli;Mondal, Rakesh;Chakraborty, Gargi;Guin, Amit Kumar;Das, Abhishek;Paul, Nanda D.. And the article was included in ACS Catalysis in 2021.SDS of cas: 1777-82-8 This article mentions the following:

Herein an exclusively ligand-centered redox controlled approach for the dehydrogenation of a variety of N-heterocycles such as 1,2,3,4-tetrahydro-2-methylquinoline, 1,2,3,4-tetrahydro-isoquinoline, indoline, 2-phenyl-2,3-dihydro-1H-benzoimidazole, 2,3-dihydro-2-phenylquinazolin-4(1H)-ones I (R = H, 2-Br, 4-Cl, 4-Me, etc.; X = C=O) and 1,2,3,4-tetrahydro-2-phenylquinazolines I (X = CH₂) using a Zn(II)-stabilized azo-anion radical complexes II (R¹ = H, Cl) as the catalyst was reported. A simple, easy to prepare and bench stable Zn(II)-complex III (R¹ = Cl) featuring the tridentate arylazo pincer, 2-((4-chlorophenyl)diazenyl)-1,10-phenanthroline, in the presence of zinc-dust, undergoes reduction of azo-anion radical species II (R¹ = Cl) which efficiently dehydrogenates various saturated N-heterocycles such as 1,2,3,4-tetrahydro-2-methylquinoline, 1,2,3,4-tetrahydro-isoquinoline, indoline, 2-phenyl-2,3-dihydro-1H-benzoimidazole, 2,3-dihydro-2-phenylquinazolin-4(1H)-ones I (X = C=O) and 1,2,3,4-tetrahydro-2-phenylquinazolines I (X = CH₂) under air. The catalyst has further been found to be compatible with the cascade synthesis of these N-heterocycles IV (R² = n-Bu, Ph, thiophen-2-yl, etc.; R³ = H, Me; R⁴ = H, Br, Me), V (R⁵ = H, Cl) and VI (R⁶ = H, Cl; R⁷ = H, Me; R⁸ = Ph, 2-fluorophenyl, pyridin-2-yl, etc.) via dehydrogenative coupling of alcs. R²CH₂OH and 2-NH₂-4-R⁶-C₆H₃CH₂OH with other suitable coupling partners under air. Mechanistic investigation reveals that the dehydrogenation reactions proceed via a one-electron hydrogen atom transfer (HAT) pathway where the zinc-stabilized azo-anion radical ligand abstracts the hydrogen atom from the organic substrate(s), and the whole catalytic cycle proceeds via the exclusive involvement of the ligand-centered redox events where the zinc acts only as the template. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8SDS of cas: 1777-82-8).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.SDS of cas: 1777-82-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Plant-defense mimicry facilitates rapid dispersal of short-lived seeds by hornets was written by Qin, Rui-Min;Wen, Ping;Corlett, Richard T.;Zhang, Yuanye;Wang, Gang;Chen, Jin. And the article was included in Current Biology in 2022.Formula: C8H16O This article mentions the following:

Rates of seed dispersal have rarely been considered important. Here, we demonstrate through field observations and experiments that rapid dispersal is essential for the unusually short-lived seeds of Aquilaria sinensis (agarwood; Thymelaeaceae), which desiccate and die within hours of exposure by fruit dehiscence in the hot, dry forest canopy in tropical southwest China. We show that three species of Vespa hornets remove most seeds within minutes of exposure. The hornets consume only the fleshy elaiosomes and deposit most seeds in damp shade, where they can germinate, a mean of 166 m from the parent tree. Electrophysiol. assays and field experiments demonstrate that the hornets are attracted by highly volatile short-carbon-chain (C5-C9) compounds, including aldehydes, ketones, alcs., and acids, emitted from the dehiscent fruit capsule. These attractive fruit volatiles share 14 of 17 major electrophysiol. active compounds with those emitted from herbivore-damaged leaves, which attract predators, including hornets. Rapid seed dispersal thus appears to have been achieved in this species by the re-purposing of a rapid indirect defense mechanism. We predict that rapid seed dispersal by various mechanisms will be more widespread than currently documented and suggest that volatile attractants are more effective in facilitating this than visual signals, which are blocked by vegetation. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Formula: C8H16O).

Oct-1-en-3-ol (cas: 3391-86-4) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Formula: C8H16O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Allergic contact dermatitis caused by 1,6-hexanediol diacrylate in a hospital wristband was written by van Amerongen, Cynthia C. A.;Dahlin, Jakob;Isaksson, Marlene;Schuttelaar, Marie L. A.. And the article was included in Contact Dermatitis in 2019.Category: alcohols-buliding-blocks This article mentions the following:

1,6-Hexanediol diacrylate (1,6-HDDA) is a multifunctional acrylate and a potent sensitizer. To report a case of allergic contact dermatitis caused by 1,6-HDDA in a hospital wristband. A male patient presented with eczema on his wrist where he had worn a hospital wristband. Patch testing was performed with our extended European baseline series, addnl. series, and pieces of the hospital wristband. Thin-layer chromatog. (TLC) was performed with extracts from the wristband and gas chromatog.-mass spectrometry was used for chem. anal. Pos. reactions were found to pieces of the wristband, including adhesive rim (+++), inside (+++), and outside (++); to multiple allergens in the (meth)acrylates series; and to extracts of the wristband in acetone and ethanol. Chem. anal. of the ethanol extract showed presence of lauryl acrylate and 1,6-HDDA. Patch testing with TLC strips and subsequent chem. anal. showed that the substance causing the strongest reaction was 1,6-HDDA, to which the patient had a confirmed pos. patch test reaction. 1,6-HDDA was identified as the culprit allergen responsible for allergic contact dermatitis caused by the hospital wristband. In the experiment, the researchers used many compounds, for example, Diethyleneglycoldiacrylate (cas: 4074-88-8Category: alcohols-buliding-blocks).

Diethyleneglycoldiacrylate (cas: 4074-88-8) 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. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts