Month: November 2022

Structure-Reactivity Relationships on Substrates and Inhibitors of the Lysine Deacylase Sirtuin 2 from Schistosoma mansoni (SmSirt2) was written by Monaldi, Daria;Rotili, Dante;Lancelot, Julien;Marek, Martin;Woessner, Nathalie;Lucidi, Alessia;Tomaselli, Daniela;Ramos-Morales, Elizabeth;Romier, Christophe;Pierce, Raymond J.;Mai, Antonello;Jung, Manfred. And the article was included in Journal of Medicinal Chemistry in 2019.Computed Properties of C13H12O2 The following contents are mentioned in the article:

The only drug currently available for treatment of the neglected disease Schistosomiasis is Praziquantel, and the possible emergence of resistance makes research on novel therapeutic agents necessary and urgent. To this end, the targeting of Schistosoma mansoni epigenetic enzymes, which regulate the parasitic life cycle, emerged as a promising approach. Due to the strong effects of human sirtuin inhibitors on parasite survival and reproduction, Schistosoma sirtuins were postulated as potential therapeutic targets. In vitro testing of synthetic substrates of S. mansoni sirtuin 2 (SmSirt2) and kinetic experiments on a myristoylated peptide demonstrated lysine long-chain deacylation as an intrinsic SmSirt2 activity in addition to its known deacetylase activity for the first time. Focused in vitro screening of the GSK Kinetobox library and structure-activity relationships of identified hits led to the first SmSirt2 inhibitors with activity in the low micromolar range. Several SmSirt2 inhibitors showed potency against both larval schistosomes (viability) and adult worms (pairing, egg laying) in culture without general toxicity to human cancer cells. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Computed Properties of C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Computed Properties of C13H12O2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

The effect of Epichloe endophyte on phyllosphere microbes and leaf metabolites in Achnatherum inebrians was written by Liu, Bowen;Ju, Yawen;Xia, Chao;Zhong, Rui;Christensen, Michael J.;Zhang, Xingxu;Nan, Zhibiao. And the article was included in iScience in 2022.Synthetic Route of C19H16O4 The following contents are mentioned in the article:

Upon exposure to the prevailing environment, leaves become increasingly colonized by fungi and bacteria located on the surface (epiphytic) or within (endophytic) the leaves. Many cool season grasses, including Achnatherum inebrians, host a seed-borne, intercellular, mutualistic Epichloe fungal endophyte, the growth of which is synchronized with the host grass. A study utilizing illumina sequencing was used to examine the epiphytic and endophytic microbial communities in Epichloe endophyte-infected and endophyte-free A. inebrians plants growing under hot dry field conditions. The presence of Epichloe endophyte increased the Shannon and decreased Simpson diversity of bacterial and fungal communities. Sphingomonas and Hymenobacter bacteria and Filobasidium and Mycosphaerella fungi were growing largely epiphytically, whereas Methylobacterium, Escherichia-Shigella, and the fungus Blumeria were mostly found within leaves with the location of colonization influenced by the Epichloe endophyte. In addition, leaf metabolites in Epichloe-infected and Epichloe-free leaves were examined using LC/MS. Epichloe was significantly correlated with 132 metabolites. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Synthetic Route of C19H16O4).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Synthetic Route of C19H16O4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Design, synthesis and biological evaluation of 1H-indazole derivatives as novel ASK1 inhibitors was written by Hou, Shaohua;Yang, Xiping;Yang, Yuejing;Tong, Yu;Chen, Quanwei;Wan, Boheng;Wei, Ran;Lu, Tao;Chen, Yadong;Hu, Qinghua. And the article was included in European Journal of Medicinal Chemistry in 2021.Safety of 2-Methoxyethylamine The following contents are mentioned in the article:

A series of novel ASK1 inhibitors, e.g., I and II with 1H-indazole scaffold were designed, synthesized and evaluated for their ASK1 kinase activity and AP1-HEK293 cell inhibitory effect. Systematic structure-activity relationship (SAR) efforts led to the discovery of promising compound II, which showed excellent in vitro ASK1 kinase activity and potent inhibitory effects on ASK1 in AP1-HEK293 cells. In a tumor necrosis factor-α (TNF-α)-induced HT-29 intestinal epithelial cell model, compound II exhibited a significantly protective effect on cell viability comparable to that of GS-4997; moreover, compound II exhibited no obvious cytotoxicity against HT-29 cells at concentrations up to 25μM. Mechanistic research demonstrated that compound II suppressed phosphorylation in the ASK1-p38/JNK signaling pathway in HT-29 cells and regulated the expression levels of apoptosis-related proteins. Altogether, these results showed that compound II may serve as a potential candidate compound for the treatment of inflammatory bowel disease (IBD). This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Safety of 2-Methoxyethylamine).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Safety of 2-Methoxyethylamine

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

A multicolor fluorescent sensor array based on curcumin and its analogs as a shrimp freshness indicator was written by Cai, Shaoyong;Song, Guangjie;Zhang, Guofan;Wang, Lei;Jian, Tianlan;Xu, Jiatong;Su, Fengyu;Tian, Yanqing. And the article was included in Sensors and Actuators, B: Chemical in 2022.Category: ethers-buliding-blocks The following contents are mentioned in the article:

The colorimetric sensing label is a simple, cost-effective, and user-friendly tool for monitoring ammonia vapor (NH3) concentrations in food packaging. Numerous natural dyes present excellent NH3-sensitivity, but their low solubility in water limits their food-related applications. Herein, a special cellulose-based ink system with an EtOH/water mixture as solvent was proposed to improve the dispersion of non-aqueous dyes (curcumin and its analogs (indexed as Bur and Bur-BF2)). Subsequently, three sensing labels containing different dyes were prepared by simple screen-printing after optimizing the inks′ rheol. properties. Benefiting from the different intramol. charge-transfer (ICT) behaviors of dyes, each sensing label exhibited various characteristics in terms of the optical property, NH3-sensitivity, and fluorescent color-changing routes upon exposure to 0-50 ppm NH3. Importantly, all sensing labels showed excellent stability in environments with various relative humidity and temperature Therefore, three sensing labels were used to construct a multicolor fluorescent sensor array, which aimed to visually monitor the freshness of shrimp for consumers. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Category: ethers-buliding-blocks).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Category: ethers-buliding-blocks

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

One-Way Intestinal Perfusion of PVP/VA-Poloxamer 188-Curcuma longa L. Extract Solid Dispersion in Rats In Vivo and Its Effect on HSC-T6 Cell Proliferation was written by Gao, Jie;Shi, Yi;Han, Yunfeng;Tang, Xi;Bi, Ruohong;Pan, Lin;Lai, Xianrong. And the article was included in AAPS PharmSciTech in 2022.Recommanded Product: 33171-05-0 The following contents are mentioned in the article:

Turmeric was the dried rhizome of Curcuma longa L., and its extract had important pharmacol. effects such as anti-tumor, cholagogic, and antioxidant. However, curcuma extract had poor water solubility and low bioavailability, which had become the main limiting factor for its clin. application. The purpose of this study was to prepare PVP/VA-Poloxamer-188-curcuma extract solid dispersion (PAP-CSD) to improve the solubility and bioavailability of the curcuma extract The intestinal absorption mechanism of solid dispersion of this extract was studied by one-way intestinal perfusion in rats. PAP-CSD,PVP/VA-curcuma extract solid dispersion (PA-CSD) and Poloxamer-188-curcuma extract solid dispersion (P-CSD) was able to improve the intestinal absorption of the curcuma extract (P < 0.05), and PAP-CSD (combined use of two carriers) was better than that of PA-CSD and P-CSD. CCK8 method was used to investigate the effects of the curcuma extract and PAP-CSD on the proliferation of hepatic stellate cells (HSC)-T6 cells. The inhibitory effect of PAP-CSD on the proliferation of HSC-T6 cells, related to the p38 MAPK pathway, was better than that of the curcuma extract This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Recommanded Product: 33171-05-0).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Recommanded Product: 33171-05-0

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

A selective PPM1A inhibitor activates autophagy to restrict the survival of Mycobacterium tuberculosis was written by Berton, Stefania;Chen, Lu;Liang, Yi Chu;Xu, Zhongliang;Afriyie-Asante, Afrakoma;Rajabalee, Nusrah;Yang, Weibo;Sun, Jim. And the article was included in Cell Chemical Biology in 2022.Product Details of 1132669-90-9 The following contents are mentioned in the article:

Metal-dependent protein phosphatases (PPMs) have essential roles in a variety of cellular processes, including inflammation, proliferation, differentiation, and stress responses, which are intensively investigated in cancer and metabolic diseases. Targeting PPMs to modulate host immunity in response to pathogens is an ambitious proposition. The feasibility of such a strategy is unproven because development of inhibitors against PPMs is challenging and suffers from poor selectivity. Combining a biomimetic modularization strategy with function-oriented synthesis, we design, synthesize and screen more than 500 pseudo-natural products, resulting in the discovery of a potent, selective, and non-cytotoxic small mol. inhibitor for PPM1A, SMIP-30. Inhibition of PPM1A with SMIP-30 or its genetic ablation (ΔPPM1A) activated autophagy through a mechanism dependent on phosphorylation of p62-SQSTM1, which restricted the intracellular survival of Mycobacterium tuberculosis in macrophages and in the lungs of infected mice. SMIP-30 provides proof of concept that PPMs are druggable and promising targets for the development of host-directed therapies against tuberculosis. This study involved multiple reactions and reactants, such as 5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (cas: 1132669-90-9Product Details of 1132669-90-9).

5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (cas: 1132669-90-9) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Product Details of 1132669-90-9

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Promising iron(II) complexes of curcumins: designing, density functional theory, and molecular docking was written by Kumar, Ajay;Kumar, Vinod;Kumari, Kamlesh;Jain, Pallavi;Kaushik, Nagendra Kumar;Singh, Prashant. And the article was included in Journal of Physical Organic Chemistry in 2021.Related Products of 33171-05-0 The following contents are mentioned in the article:

Curcumin is the key compound of turmeric and was identified as diferuloylmethane. It can be administered through various routes like orally and inhalation. It is hydrophobic, and the bioavailability for oral administration of curcumin is low. It is an important biol. promising compound and used for the treatment of patients’ suffering from atherosclerosis, colon cancer, hypercholesteremia, inflammatory bowel disease, pancreatic cancer, and so forth. The work aims to design the iron(II) complexes of curcumin and its derivatives The designed complexes were studied by the d. functional theory (DFT) approach for their stability and were investigated based on IR spectra using Gaussian 9.0. Further, curcumin and the iron (II) complexes were explored for their biol. potency as inhibitors against the main protease of SARS-CoV-2, as well as for antimicrobial and antioxidant activities using mol. docking with the iGemDock. Based on the results, it has been observed that among the iron(II) complexes of curcumin, C1 showed promising biol. activities against tyrosinase kinase and the main protease of SARS-CoV-2 as well as satisfactory action against Escherichia coli. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Related Products of 33171-05-0).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Related Products of 33171-05-0

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Limited Secondary Organic Aerosol Production from Acyclic Oxygenated Volatile Chemical Products was written by Humes, Mackenzie B.;Wang, Mingyi;Kim, Sunhye;Machesky, Jo E.;Gentner, Drew R.;Robinson, Allen L.;Donahue, Neil M.;Presto, Albert A.. And the article was included in Environmental Science & Technology in 2022.Formula: C10H22O3 The following contents are mentioned in the article:

Volatile chem. products (VCPs) have recently been identified as potentially important unconventional sources of secondary organic aerosol (SOA), in part due to the mitigation of conventional emissions such as vehicle exhaust. Here, we report measurements of SOA production in an oxidation flow reactor from a series of common VCPs containing oxygenated functional groups and at least one oxygen within the mol. backbone. These include two oxygenated aromatic species (phenoxyethanol and 1-phenoxy-2-propanol), two esters (Bu butyrate and Bu acetate), and four glycol ethers (carbitol, Methyl Carbitol, Butyl Carbitol, and hexyl carbitol). We measured gas- and particle-phase products with a suite of mass spectrometers and particle-sizing instruments. Only the aromatic VCPs produce SOA with substantial yields. For the acyclic VCPs, ether and ester functionality promotes fragmentation and hinders autoxidation, whereas aromatic rings drive SOA formation in spite of the presence of ether groups. Therefore, our results suggest that a potential strategy to reduce urban SOA from VCPs would be to reformulate consumer products to include less oxygenated aromatic compounds This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Formula: C10H22O3).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Formula: C10H22O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Metal-Free Photochemical Degradation of Lignin-Derived Aryl Ethers and Lignin by Autologous Radicals through Ionic Liquid Induction was written by Kang, Ying;Lu, Xingmei;Zhang, Guangjin;Yao, Xiaoqian;Xin, Jiayu;Yang, Shaoqi;Yang, Yongqing;Xu, Junli;Feng, Mi;Zhang, Suojiang. And the article was included in ChemSusChem in 2019.HPLC of Formula: 103-16-2 The following contents are mentioned in the article:

The degradation of lignin into aromatic products is very important, but harsh conditions and metal-based catalysts are commonly needed to cleave the inert bonds. Herein, an efficient self-initiated radical photochem. degradation for lignin-derived aryl ethers through ionic liquids (ILs) induction is demonstrated. The C-C/C-O bonds can be cleaved efficiently through free-radical-mediated reaction in the binary-ILs system 1-propenyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide [PMim][NTf₂] and the Broensted acid 1-propylsulfonic-3-methylimidazolium trifluoromethanesulfonate ([PrSO₃HMim][OTf]) under ambient conditions; [PMim][NTf₂] initiates the reaction by promoting the cleavage of the C_β-H bond, and [PrSO₃HMim][OTf] catalyzes the subsequent C-O-C bond fragmentation. Also, alkyl, hydroxyl, and peroxy radicals are detected, which suggests degradation based on a photochem. free-radical process. Addnl., alkali lignin could also be degraded in the IL system. This work sheds light on sustainable biomass use through a self-initiated radical photochem. strategy under metal-free and mild conditions. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2HPLC of Formula: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.HPLC of Formula: 103-16-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Integration of hydrothermal carbonization and aqueous phase reforming for energy recovery from sewage sludge was written by Oliveira, Adriana S.;Sarrion, Andres;Baeza, Jose A.;Diaz, Elena;Calvo, Luisa;Mohedano, Angel F.;Gilarranz, Miguel A.. And the article was included in Chemical Engineering Journal (Amsterdam, Netherlands) in 2022.Safety of 2-(2-(Hexyloxy)ethoxy)ethanol The following contents are mentioned in the article:

This study investigates the energy recovery from sewage sludge by combining hydrothermal carbonization and aqueous phase reforming of the generated process water. The hydrothermal treatment was carried out at 170°C and 230°C for 1 h, and produced a hydrochar with adequate physicochem. properties, such as a higher heating value (20-24 MJ kg^-1) than sludge, improved fuel ratio (0.2-0.5) and a broad comprehensive combustion index (5.8 x 10^-7 to 10.0 x 10^-7 min^-2 °C^-3). Aqueous phase reforming of the process water was carried out at 220°C and 25-29 bar for 4 h. A maximum H₂ yield of 98.7 mmol H₂ gTOC^-1 was achieved using a bimetallic Pt/Rh catalyst supported on carbon black and for the process water obtained at the lowest carbonization temperature The integration of hydrothermal carbonization and aqueous phase reforming processes is an interesting alternative for the management and energy recovery of sewage sludge, which allows reaching a potential energy recovery of 17.3 MJ per kg of dry sewage sludge, equivalent to 93.5% gross energy recovery, under optimized conditions. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Safety of 2-(2-(Hexyloxy)ethoxy)ethanol).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Safety of 2-(2-(Hexyloxy)ethoxy)ethanol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem