Month: November 2022

Antitubercular 2-Pyrazolylpyrimidinones: Structure-Activity Relationship and Mode-of-Action Studies was written by Soares de Melo, Candice;Singh, Vinayak;Myrick, Alissa;Simelane, Sandile B.;Taylor, Dale;Brunschwig, Christel;Lawrence, Nina;Schnappinger, Dirk;Engelhart, Curtis A.;Kumar, Anuradha;Parish, Tanya;Su, Qin;Myers, Timothy G.;Boshoff, Helena I. M.;Barry, Clifton E. III;Sirgel, Frederick A.;van Helden, Paul D.;Buchanan, Kirsteen I.;Bayliss, Tracy;Green, Simon R.;Ray, Peter C.;Wyatt, Paul G.;Basarab, Gregory S.;Eyermann, Charles J.;Chibale, Kelly;Ghorpade, Sandeep R.. And the article was included in Journal of Medicinal Chemistry in 2021.Formula: C3H9NO The following contents are mentioned in the article:

Phenotypic screening of a Medicines for Malaria Venture compound library against Mycobacterium tuberculosis (Mtb) identified a cluster of pan-active 2-pyrazolylpyrimidinones. The biol. triage of these actives using various tool strains of Mtb suggested a novel mechanism of action. The compounds were bactericidal against replicating Mtb and retained potency against clin. isolates of Mtb. Although selected MmpL3 mutant strains of Mtb showed resistance to these compounds, there was no shift in the min. inhibitory concentration (MIC) against a mmpL3 hypomorph, suggesting mutations in MmpL3 as a possible resistance mechanism for the compounds but not necessarily as the target. RNA transcriptional profiling and the checkerboard board 2D-MIC assay in the presence of varying concentrations of ferrous salt indicated perturbation of the Fe-homeostasis by the compounds Structure-activity relationship studies identified potent compounds with good physicochem. properties and in vitro microsomal metabolic stability with moderate selectivity over cytotoxicity against mammalian cell lines. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Formula: C3H9NO).

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. 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: C3H9NO

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

Discovery of 5-methylpyrimidopyridone analogues as selective antimycobacterial agents was written by Wu, Yu;Cheung, Chen-Yi;Zhou, Yang;Wang, Zhen;Tu, Zhengchao;Cook, Gregory M.;Lu, Xiaoyun. And the article was included in Bioorganic & Medicinal Chemistry in 2021.Synthetic Route of C3H9NO The following contents are mentioned in the article:

With the emergence of multidrug-resistant strains of Mycobacterium tuberculosis (MDR-TB) and extensive drug-resistant strains (XDR-TB), there is an urgent need to develop novel drugs for the treatment of tuberculosis. Here, the authors designed and synthesized a series of 5-methylpyrimidopyridone analogs I [R¹ = NHEt, cyclopropylamino, 4-methylpiperidino, etc., R² = (3s,5S,7s)-adamant-1-yl, cyclopentyl, cyclohexyl, R³ = 2-Cl, 4-Cl, H, 2-CN, etc.] as potential antitubercular agents. The most potent compound II exhibited a MIC value of 4μM in vitro against Mycobacterium tuberculosis. The antitubercular activities of the synthesized compounds were impacted by the amantadine and 2-chlorophenyl groups, and were enhanced by the presence of 3-methyl(4-dimethylamino)piperidinylphenyl. Mol. modeling and binding studies suggest that PknB is the potential mol. target of 5-methylpyrimidopyridone compounds This study provides insights for the future development of new antimycobacterial agents with novel mechanisms of action. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Synthetic Route of C3H9NO).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Synthetic Route of C3H9NO

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

Dietary and nutraceutical-based therapeutic approaches to combat the pathogenesis of Huntington′s disease was written by Singh, Pradeep;Mishra, Garima;Molla, Mulugeta;Shumet Yimer, Yohannes;Sisay, Woretaw;Andargie, Yared;Ewunetie, Amien. And the article was included in Journal of Functional Foods in 2022.Quality Control of Bisdemethoxycurcumin The following contents are mentioned in the article:

Among several neurodegenerative diseases, Huntington disease has posed a major threat across the world, particularly in the aged population. The disease is caused due to expansion of cytosine-adenine-guanine repeats which further triggers the formation of a mutant huntingtin protein responsible for neuronal death. Numerous pathophysiol. mechanisms have been implicated in Huntington′s disease. Striatum and cortex represent the most affected parts of the brain. Even though a wide range of medicines are available but they possess serious side effects. Therefore, the emergence of nutraceuticals derived from natural sources has received great attention in the pharmaceutical domain. Nutraceuticals are health-promoting supplements and enhance immunity in human beings. Currently, oxidative stress is the leading factor for chronic diseases that occur due to low intake of antioxidants. Herbal nutraceuticals are said to be enriched with a massive number of antioxidants. Therefore, this article throws light on various herbal nutraceuticals and their noteworthy effects on Huntington′s disease. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Quality Control of Bisdemethoxycurcumin).

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.Quality Control of Bisdemethoxycurcumin

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

Equations for the Correlation and Prediction of Partition Coefficients of Neutral Molecules and Ionic Species in the Water-Isopropanol Solvent System was written by Abraham, Michael H.;Acree, William E. Jr.;Rafols, Clara;Roses, Marti. And the article was included in Journal of Solution Chemistry in 2021.Application of 103-16-2 The following contents are mentioned in the article:

We use literature data on solubilities of 46 compounds in the water-isopropanol (IPA) system to obtain the corresponding partition coefficients, P, for transfer from water to water-IPA mixtures We have then used our previously constructed linear free energy equation to obtain equations that correlate log10P at water-IPA intervals across the entire water-IPA system. These equations can then be used to predict partition coefficients and solubilities of further compounds in the water-IPA systems at 298 K. The coefficients in our linear free energy equation encode information on the physicochem. properties of the water-IPA mixtures We show that the hydrogen bond basicity of the water-IPA mixtures only increases slightly from water to IPA, but that the hydrogen bond acidity of the mixtures decreases markedly from water to IPA in a smooth continuous manner. We have also used data on ions and on ionic species to set out equations for the estimation of their partition coefficients from water to water-IPA mixtures We find that for partition from water to IPA itself, log10P = – 1.81 for H+. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Application of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.Application of 103-16-2

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

Equations for the Correlation and Prediction of Partition Coefficients of Neutral Molecules and Ionic Species in the Water-Isopropanol Solvent System was written by Abraham, Michael H.;Acree, William E. Jr.;Rafols, Clara;Roses, Marti. And the article was included in Journal of Solution Chemistry in 2021.Related Products of 103-16-2 The following contents are mentioned in the article:

We use literature data on solubilities of 46 compounds in the water-isopropanol (IPA) system to obtain the corresponding partition coefficients, P, for transfer from water to water-IPA mixtures We have then used our previously constructed linear free energy equation to obtain equations that correlate log10P at water-IPA intervals across the entire water-IPA system. These equations can then be used to predict partition coefficients and solubilities of further compounds in the water-IPA systems at 298 K. The coefficients in our linear free energy equation encode information on the physicochem. properties of the water-IPA mixtures We show that the hydrogen bond basicity of the water-IPA mixtures only increases slightly from water to IPA, but that the hydrogen bond acidity of the mixtures decreases markedly from water to IPA in a smooth continuous manner. We have also used data on ions and on ionic species to set out equations for the estimation of their partition coefficients from water to water-IPA mixtures We find that for partition from water to IPA itself, log10P = – 1.81 for H+. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Related Products of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.Related Products of 103-16-2

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

Illuminating a Dark Kinase: Structure-Guided Design, Synthesis, and Evaluation of a Potent Nek1 Inhibitor and Its Effects on the Embryonic Zebrafish Pronephros was written by Baumann, Georg;Meckel, Tobias;Boehm, Kevin;Shih, Yung-Hsin;Dickhaut, Mirco;Reichardt, Torben;Pilakowski, Johannes;Pehl, Ulrich;Schmidt, Boris. And the article was included in Journal of Medicinal Chemistry in 2022.HPLC of Formula: 109-85-3 The following contents are mentioned in the article:

NIMA-related kinase 1 (Nek1) has lately garnered attention for its widespread function in ciliogenesis, apoptosis, and the DNA-damage response. Despite its involvement in various diseases and its potential as a cancer drug target, no directed medicinal chem. efforts toward inhibitors against this dark kinase are published. Here, we report the structure-guided design of a potent small-mol. Nek1 inhibitor, starting from a scaffold identified by kinase cross-screening anal. Seven lead compounds were identified in silico and evaluated for their inhibitory activity. The top compound, 10f, was further profiled for efficacy, toxicity, and bioavailability in a zebrafish polycystic kidney disease model. Administration of 10f caused the expansion of fluorescence-labeled proximal convoluted tubules, supporting our hypothesis that Nek1-inhibition causes cystic kidneys in zebrafish embryos. Compound 10f displayed insignificant inhibition in 48 of 50 kinases in a selectivity test panel. The findings provide a powerful tool to further elucidate the function and pharmacol. of this neglected kinase. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3HPLC of Formula: 109-85-3).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.HPLC of Formula: 109-85-3

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

Photogated photoswitchable [2]rotaxane based on orthogonal photoreactions was written by Yang, Jiang-Xiong;Li, Ze;Gu, Xu-Hai;Zhan, Tian-Guang;Cui, Jiecheng;Zhang, Kang-Da. And the article was included in Tetrahedron in 2021.Application In Synthesis of 2-Methoxyethylamine The following contents are mentioned in the article:

A photoswitchable [2]rotaxane with unique photogated macrocyclic shuttling is constructed by incorporating the photoswitchable azobenzene (AB) and nonphotoactive biphenyl (BP) units into the axle as two terminal recognition sites, bridged by a naphthalene (NAP) unit. The UV (λ = 379 nm)/blue (λ = 440-450 nm) lights triggered Z/E photoisomerization of the AB unit can drive the cyclobis(paraquat-p-phenylene) (CBPQT⁴⁺) macrocycle to shuttle between the two terminal recognition sites. Such macrocyclic translational movement can be photogated by a steric barrier generating from the green-light (λ = 520-525 nm)-triggered cycloaddition reaction between the NAP unit on the thread and a triazolinedione (TAD) additive. Upon standing in dark, the photocycloadduct undergoes disassocn. which restores the phototriggered macrocyclic shuttling ability. The construction of such photogated photoresponsive mol. shuttle can provide new approach to improve the switching controllability of rotaxane, which is beneficial to fabricate rotaxane-based nanosystems and materials with high performance. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Application In Synthesis of 2-Methoxyethylamine).

2-Methoxyethylamine (cas: 109-85-3) 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. 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.Application In Synthesis of 2-Methoxyethylamine

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

Synergistic and dichotomous effects of nectar phenolics on honey bee colonies was written by Jiang, Xueli;Gao, Jie;Sharif, Muhammad Zahid;Zhang, Xuewen;Liu, Fanglin. And the article was included in Pakistan Journal of Zoology in 2022.Formula: C9H12O3 The following contents are mentioned in the article:

Nectar phenolics have a widespread effect on honey bees and their colonies. Because of their complex, non-linear interactions, it is difficult to assess honey bee health risks from exposure to real-world floral nectar with complex phenolic mixture In the study, we investigate the bee losses of Apis mellifera in the flowering period of the Mexican sunflower Tithonia diversifolia in southwestern China, and use data mining approach to model the relationships between nectar phenolics and bee losses. The results show that bee losses are closely related to the phenolics of isochlorogenic acid, p-coumaric acid, chlorogenic acid and galangin, identified from the sunflower nectar. The nectar phenolics do not cause bee-poisoning to death, but can trigger bee colonies to explore food sources at risk. Also, each of these phenolics acts in a dichotomous mode, with above a certain value destructing colonies and below such value affecting little. This study provides new insight into the mechanism underlying the catastrophic events of bee losses or honey harvests, which have been reported worldwide. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Formula: C9H12O3).

4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1) 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. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Formula: C9H12O3

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

A novel N-nitrosation-based ratiometric fluorescent probe for highly selective imaging endogenous nitric oxide in living cells and zebrafish was written by Liu, Peilian;Li, Bowen;Zheng, Jian;Liang, Qiqi;Wu, Cailing;Huang, Liping;Zhang, Peisheng;Jia, Yongmei;Wang, Sheng. And the article was included in Sensors and Actuators, B: Chemical in 2021.Computed Properties of C3H9NO The following contents are mentioned in the article:

Nitric oxide (NO), a widespread signaling transduction mol. in organism, plays key roles in lots of pathophysiol. processes. Aberrant level of NO is closely related to tumors, cardiovascular and cerebrovascular diseases, neurodegenerative diseases and many other diseases. Therefore, sensing NO in cells and in vivo is of great significance for the study of the chem. biol. of related diseases. Herein, a novel ratiometric fluorescence probe (AC-SA), in which anthracene carboximide used as fluorophore and secondary amines at the 6th position of the fluorophore severed as recognition moiety is rationally designed to detect NO. The AC-SA can capture NO via N-nitrosation reaction to give obvious fluorescence signal change from red to green based on the intramol. charge transfer (ICT) mechanism. The AC-SA features striking ratiometric signal (I525/I625), good sensitivity (4.05 nM), high selectivity for sensing NO over various interferents in physiol. pH. More important, the AC-SA can be applied to image endogenous NO in Raw 264.7 macrophage cells as well as zebrafish in a ratiometric manner. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Computed Properties of C3H9NO).

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, 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.Computed Properties of C3H9NO

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

Mechanism of stereoselective production of trans-1-decalone by electrochemical catalysis in microemulsions was written by Gao, Jianxin;Njue, Christopher K.;Mbindyo, Jeremiah K. N.;Rusling, James F.. And the article was included in Journal of Electroanalytical Chemistry in 1999.Recommanded Product: 112-59-4 The following contents are mentioned in the article:

Microemulsions made from water, oil and surfactant are attractive alternatives to organic solvents for mediated electrochem. synthesis. Cyclization of 2-(4-bromobutyl)-2-cyclohexen-1-one (1) to 1-decalone (2) mediated by an electrochem. generated cobalt(I) complex favored the trans- form over cis-1-decalone by ∼93:7 in microemulsions, but poorer stereoselectivity was obtained in organic solvents. Microemulsion composition, surfactant type (cationic or anionic), or chirality of the mediator did not significantly influence the trans/cis ratio of 1-decalone. Selective formation of trans-1-decalone in microemulsions is attributed to equilibration of isomers via keto-enol tautomerization catalyzed by hydroxide ions formed by coelectrolysis of water during the reaction. Trans-1-decalone was efficiently produced in 2 h electrolyzes in microemulsions with large volume fractions of water. Organic solvents with trace amounts of water gave little stereoselectivity in similar periods, but longer equilibration times produced larger proportions of trans-1-decalone. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Recommanded Product: 112-59-4).

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.Recommanded Product: 112-59-4

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