Tag: 300-400

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

Nonadherent Zwitterionic Composite Nanofibrous Membrane with a Halloysite Nanocarrier for Sustained Wound Anti-Infection and Cutaneous Regeneration was written by Feng, Yunbo;Wang, Qian;He, Min;Zhao, Weifeng;Liu, Xiaoling;Zhao, Changsheng. And the article was included in ACS Biomaterials Science & Engineering in 2020.Application of 109-17-1 This article mentions the following:

Wound dressing synechia and sustained postoperative bacterial infection would cause serious secondary damage to nascent cutaneous tissue and impede normal regeneration of injured wound. Endowing wound dressings with nonadherent capability and long-lasting antibacterial property could optimize the postoperative wound healing conditions and promote wound tissue neogenesis, which have important clin. application value and demand. In this study, novel nanocarrier-embedded zwitterionic composite nanofibrous membranes are fabricated using the co-electrospinning/photo-crosslinking method for the purpose of painless removal and eliminating long-lasting antibacterial infection during postoperative wound therapy. The prepared membranes possess good biocompatibility, excellent antibiofouling ability against both bacteria and plasma proteins, and platelet and L929 cell adhesion. Furthermore, in vitro and in vivo antibacterial evaluations exhibit that the composite nanofibrous membranes with a sustained drug release profile could effectively inhibit bacterial proliferation for at least 16 days. Addnl., in vivo wound regeneration assessment indicates that the obtained membranes could better enhance skin regeneration than the com. 3M Tegaderm film, which highlights the application prospect of such novel zwitterionic composite nanofibrous membranes for sustained postoperative wound anti-infection and cutaneous regeneration. In the experiment, the researchers used many compounds, for example, ((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1Application of 109-17-1).

((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Application of 109-17-1

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The Influence of Modified Experimental Dental Resin Composites on the Initial In Situ Biofilm-A Triple-Blinded, Randomized, Controlled Split-Mouth Trial was written by Burgard, Niklas;Kienitz, Melanie;Jourdan, Claudia;Ruettermann, Stefan. And the article was included in Polymers (Basel, Switzerland) in 2021.Quality Control of ((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) This article mentions the following:

The purpose of the study was to investigate the bacterial viability of the initial biofilm on the surface of exptl. modified dental resin composites. Twenty-five healthy individuals with good oral hygiene were included in this study. In a split-mouth design, they received acrylic splints with five exptl. composite resin specimens. Four of them were modified with either a novel polymeric hollow-bead delivery system or methacrylated polymerizable Irgasan (Antibacterial B), while one specimen served as an unmodified control (ST). A delivery system based on Poly-Pore was loaded with one of the active agents: Tego Protect 5000 (Antiadhesive A), Dimethicone (Antiadhesive B), or Irgasan (Antibacterial A). All study subjects refrained from toothbrushing during the study period. Specimens were detached from the splints after 8 h and given a live/dead staining before fluorescence microscopy. A Friedman test and a post hoc Nemenyi test were applied with a significance level at p < 0.05. In summary, all materials but Antibacterial B showed a significant antibacterial effect compared to ST. The results suggested the role of the materials′ chem. in the dominance of cell adhesion. In conclusion, dental resin composites with Poly-Pore-loaded active agents showed antibacterial effectiveness in situ. In the experiment, the researchers used many compounds, for example, ((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1Quality Control of ((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate)).

((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Quality Control of ((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate)

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Analysis of solid binary systems containing simvastatin was written by Ledeti, Ionut;Vlase, Gabriela;Ciucanu, Ionel;Olariu, Tudor;Fulias, Adriana;Suta, Lenuta-Maria;Belu, Ionela. And the article was included in Revista de Chimie (Bucharest, Romania) in 2015.Recommanded Product: Calcium 2-hydroxypropanoate pentahydrate This article mentions the following:

This study belongs to a dedicated series of investigations regarding the compatibility in binary solid systems of active pharmaceutical ingredients and different pharmaceutical excipients, aiming as a preliminary formulation study. The compatibility/incompatibility of a currently used statin drug – simvastatin – with three pharmaceutical excipients – calcium lactate pentahydrate, mannitol and magnesium stearate was investigated by employing three instrumental techniques – namely thermal anal., Fourier-transform IR spectroscopy and powder X-Ray diffraction. In the experiment, the researchers used many compounds, for example, Calcium 2-hydroxypropanoate pentahydrate (cas: 5743-47-5Recommanded Product: Calcium 2-hydroxypropanoate pentahydrate).

Calcium 2-hydroxypropanoate pentahydrate (cas: 5743-47-5) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Recommanded Product: Calcium 2-hydroxypropanoate pentahydrate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pore volume accessibility of particulate and monolithic stationary phases was written by Urban, Jiri. And the article was included in Journal of Chromatography A in 2015.COA of Formula: C16H26O7 This article mentions the following:

A chromatog. characterization of pore volume accessibility for both particulate and monolithic stationary phases is presented. Size-exclusion calibration curves were used to determine the pore volume fraction that is accessible for six alkylbenzenes and twelve polystyrene standards in THF as the mobile phase. Accessible porosity was then correlated with the size of the pores from which individual compounds are just excluded. The author has determined pore volume accessibility of com. available columns packed with fully and superficially porous particles, as well as with silica-based monolithic stationary phase. The author also has studied pore accessibility of polymer-based monolithic stationary phases. Suggested protocol was used to characterize pore formation at the early stage of the polymerization, to evaluate an extent of hypercrosslinking during modification of pore surface, and to characterize the pore accessibility of monolithic stationary phases hypercrosslinked after an early termination of polymerization reaction. Pore volume accessibility was also correlated to column efficiency of both particulate and monolithic stationary phases. In the experiment, the researchers used many compounds, for example, ((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1COA of Formula: C16H26O7).

((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1) 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. 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.COA of Formula: C16H26O7

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

β-Allyl Sulfones as Addition-Fragmentation Chain Transfer Reagents: A Tool for Adjusting Thermal and Mechanical Properties of Dimethacrylate Networks was written by Gorsche, Christian;Griesser, Markus;Gescheidt, Georg;Moszner, Norbert;Liska, Robert. And the article was included in Macromolecules (Washington, DC, United States) in 2014.Application of 109-17-1 This article mentions the following:

Dimethacrylates are known to have good photoreactivity, but their radical polymerization usually leads to irregular, highly cross-linked, and brittle polymer networks with broad thermal polymer phase transitions. Here, the synthesis of mono- and difunctional β-allyl sulfones is described, and those substances are introduced as potent addition-fragmentation chain transfer (AFCT) reagents leading to dimethacrylate networks with tunable properties. By controlling the content and functionality of said AFCT reagents, it is possible to achieve more homogeneous networks with a narrow glass transition and an adjustable glass transition temperature (T_g), rubber modulus of elasticity (E_r), and network d. In contrast to dimethacrylate networks containing monomethacrylates as reactive diluents, the network architecture of the β-allyl sulfone-based dimethacrylate networks is more homogeneous and the tunability of thermal and mech. properties is much more enhanced. The reactivity and polymerization were investigated using laser flash photolysis, photo-DSC, and NMR, while DMTA and swellability tests were performed to characterize the polymer. In the experiment, the researchers used many compounds, for example, ((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1Application of 109-17-1).

((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) (cas: 109-17-1) 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.Application of 109-17-1

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Overall Safety of Ospemifene in Postmenopausal Women from Placebo-Controlled Phase 2 and 3 Trials. was written by Simon, James A;Altomare, Corrado;Cort, Susannah;Jiang, Wei;Pinkerton, JoAnn V. And the article was included in Journal of women’s health (2002) in 2018.Electric Literature of C24H23ClO2 This article mentions the following:

OBJECTIVE: To evaluate the safety of daily oral ospemifene 60 mg, estrogen agonist/antagonist, used to treat moderate-to-severe dyspareunia due to postmenopausal vulvovaginal atrophy, which is part of genitourinary syndrome of menopause. METHODS: Post hoc analysis of safety data (treatment-emergent adverse events [TEAEs]) pooled from six phase 2 and 3 randomized, double-blind, multicenter placebo-controlled studies, evaluating the effects of ospemifene 60 mg on the breast, cardiovascular system, and bone in postmenopausal women. RESULTS: At least one TEAE was reported by 67.6% (840/1242) and 54.1% (518/958) of women taking ospemifene 60 mg and placebo, respectively. Most TEAEs were mild or moderate and occurred within 4 to 12 weeks. The most commonly reported TEAEs with ospemifene were hot flush (8.5% vs. 3.3% for placebo) and urinary tract infection (6.5% vs. 4.8%). Discontinuation due to TEAEs was 7.6% with ospemifene and 3.8% with placebo. Most women discontinued treatment due to adverse events (AEs): hot flushes, muscle spasms, headache, and vaginal discharge. Serious AEs occurred infrequently (ospemifene, 2.6%; placebo, 1.8%); most were not considered related to treatment. Breast cancer and other breast-related TEAE incidences were comparable between ospemifene (2.5%) and placebo (2.2%), and cardiovascular TEAE incidence, including deep vein thrombosis, was low with ospemifene (0.3%) and placebo (0.1%). CONCLUSION: No unexpected safety signals were reported, and discontinuation due to TEAEs was low, with use of ospemifene 60 mg versus placebo in six phase 2 and 3 trials, suggesting a lack of detrimental effects on the breast, bone, and cardiovascular health of postmenopausal women when ospemifene is used to effectively treat moderate-to-severe postmenopausal dyspareunia. 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: 128607-22-7Electric Literature of C24H23ClO2).

(Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol (cas: 128607-22-7) 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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Electric Literature of C24H23ClO2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The effect of renal and hepatic impairment on the pharmacokinetics of ospemifene, a tissue-selective estrogen agonist/antagonist. was written by Preston, Richard A;Marbury, Thomas C;Wajima, Toshihiro;Graham, Shelli. And the article was included in American journal of therapeutics in 2015.Electric Literature of C24H23ClO2 This article mentions the following:

Ospemifene is a nonestrogen tissue-selective estrogen agonist/antagonist approved to treat moderate to severe dyspareunia due to vulvar and vaginal atrophy in postmenopausal women. Three single-dose, open-label, parallel-group pharmacokinetic studies examined the pharmacokinetics of ospemifene in postmenopausal women with (1) mild hepatic impairment (n = 7), (2) moderate hepatic impairment (n = 8), and (3) severe renal impairment (n = 8) compared with a similar number of matched healthy controls. The study durations ranged from 8 to 12 days. Study participants received a single oral dose of ospemifene 60 mg on day 1 and blood samples were collected serially. The geometric mean ratios (hepatic or renal impairment/healthy) and 90% confidence intervals (CIs) for area under the concentration-time curve from time 0 extrapolated to infinity (AUC0-∞) and maximum concentration (Cmax), respectively, of ospemifene were 90.86% (90% CI, 65.95%-125.19%) and 79.48% (90% CI, 65.95%-95.79%) in the mild hepatic impairment study; 128.62% (90% CI, 87.13%-189.88%) and 101.12% (90% CI, 66.17%-154.52%) in the moderate hepatic impairment study, and 119.63% (90% CI, 81.37%-175.88%) and 79.30% (90% CI, 52.85%-118.99%) in the severe renal impairment study. Overall, there was no clinically important effect of hepatic or renal impairment on the pharmacokinetics of ospemifene, indicating that dosing does not need to be adjusted in postmenopausal women with mild or moderate hepatic impairment or in subjects with severe renal impairment. 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: 128607-22-7Electric Literature of C24H23ClO2).

(Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol (cas: 128607-22-7) 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. 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 C24H23ClO2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Physicochemical properties of calcium lactate prepared by single-phase aragonite precipitated calcium carbonate was written by Cheong, Sun Hee. And the article was included in Research Journal of Pharmaceutical, Biological and Chemical Sciences in 2016.Formula: C6H20CaO11 This article mentions the following:

This study sought to prepare calcium lactate using precipitated calcium carbonate (PCC) by reacting lactic acid and then investigated the formation yield and physicochem. properties of synthetic calcium lactate by Fourier Transform IR Spectroscopy (FT-IR), Thermogravimetric-DTA (TG-DTA) and Scanning Electron Microscope (SEM). The strong OH valence band of calcium lactate prepared by PCC in the 3000∼3500 cm-1 region of the FT-IR spectra showed very low intensity. Also it was found that the characteristic carbonyl band was observed at approx. 1500∼1750 cm-1 (C=O stretching) and 1300∼1400 cm-1 (C-H bending), resp. The diffraction profile of synthetic calcium lactate prepared by PCC showed a typical diffraction pattern for a crystalline solid. The TG-DTA curve of calcium lactate showed a rapid decrease at 200∼400 °C due to the m.p. of calcium lactate, which was about 240 °C. In particular, the curve had a second decrease at 600∼800 °C due to the decarbonation of calcium oxide. As for SEM images, calcium lactate using PCC existed as plate-like crystals with smooth surface. These results indicated that calcium lactate pentahydrate was formed by reacting between PCC and lactic acid. In the experiment, the researchers used many compounds, for example, Calcium 2-hydroxypropanoate pentahydrate (cas: 5743-47-5Formula: C6H20CaO11).

Calcium 2-hydroxypropanoate pentahydrate (cas: 5743-47-5) 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.Formula: C6H20CaO11

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts