Tag: 0-100

Cell-Based Drug Discovery: Identification and Optimization of Small Molecules that Reduce c-MYC Protein Levels in Cells was written by Medina, Jesus R.;Tian, Xinrong;Li, William H.;Suarez, Dominic;Mack, James F.;LaFrance, Louis;Martyr, Cuthbert;Brackley, James;Di Marco, Christina;Rivero, Ralph;Heerding, Dirk A.;McHugh, Charles;Minthorn, Elisabeth;Bhaskar, Aishwarya;Rubin, Jacob;Butticello, Michael;Carpenter, Christopher;Nartey, Eldridge N.;Berrodin, Thomas J.;Kallal, Lorena A.;Mangatt, Biju. And the article was included in Journal of Medicinal Chemistry in 2021.Computed Properties of C3H9NO The following contents are mentioned in the article:

Elevated expression of the c-MYC oncogene is one of the most common abnormalities in human cancers. Unfortunately, efforts to identify pharmacol. inhibitors that directly target MYC have not yet yielded a drug-like mol. due to the lack of any known small mol. binding pocket in the protein, which could be exploited to disrupt MYC function. We have recently described a strategy to target MYC indirectly, where a screening effort designed to identify compounds that can rapidly decrease endogenous c-MYC protein levels in a MYC-amplified cell line led to the discovery of a compound series that phenocopies c-MYC knockdown by siRNA. Herein, we describe our medicinal chem. program that led to the discovery of potent, orally bioavailable c-MYC-reducing compounds The development of a min. pharmacophore model based on empirical structure activity relationship as well as the property-based approach used to modulate pharmacokinetics properties will be highlighted. 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. 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.Computed Properties of C3H9NO

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Development of novel urea-based ATM kinase inhibitors with subnanomolar cellular potency and high kinome selectivity was written by Dimitrov, Teodor;Anli, Cetin;Moschopoulou, Athina Anastasia;Kronenberger, Thales;Kudolo, Mark;Geibel, Christian;Schwalm, Martin Peter;Knapp, Stefan;Zender, Lars;Forster, Michael;Laufer, Stefan. And the article was included in European Journal of Medicinal Chemistry in 2022.Name: 2-Methoxyethylamine The following contents are mentioned in the article:

The ATM kinase is a key mol. regulating DNA damage response and can be targeted resulting in efficient radio- or chemosensitization. Due to the enormous size of this protein and the associated difficulties in obtaining high-quality crystal structures, we sought to develop an accurate in silico model to identify new targeting possibilities. We identified a urea group as the most beneficial chem. anchor point, which could undergo multiple interactions in the aspartate-rich hydrophobic region I of the atypical ATM kinase domain. Based on in silico data, we designed and synthesized a comprehensive set of novel urea-based inhibitors and characterized them in diverse biochem. assays. Using this strategy, we identified inhibitors with subnanomolar potency, which were further evaluated in cellular models, selectivity and early DMPK properties. Finally, the two lead compounds 34 and 39 exhibited subnanomolar cellular activity along with an excellent selectivity profile and favorable metabolic stability. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Name: 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. 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.Name: 2-Methoxyethylamine

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

Carboline derivatives based on natural pityriacitrin as potential antifungal agents was written by Huang, Daye;Zhang, Zhigang;Li, Yanyan;Liu, Fang;Huang, Wenbo;Min, Yong;Wang, Kaimei;Yang, Jingzhong;Cao, Chunxia;Gong, Yan;Ke, Shaoyong. And the article was included in Phytochemistry Letters in 2022.Recommanded Product: 2-Methoxyethylamine The following contents are mentioned in the article:

Carboline alkaloids are a class of important heterocyclic natural products, which usually present extensive bioactivities. During the course of our research for active compounds from natural products, the pityriacitrin and pityriacitrin B belonged carboline alkaloids have been isolated from a Chinese Burkholderia sp. NBF227, which indicated potential antifungal activities. So, in order to develop these carboline alkaloids as potential fungicidal agents, a series of pityriacitrin derivatives were investigated for their antifungal activities against Phytophthora capsici, Sclerotinia sclerotiorum, Botrytis cinerea and Rhizoctonia solani, and the results demonstrated that compounds 4, 10 and 19 displayed broad-spectrum antifungal activities. In addition, in vivo bioassay also indicated that compounds 4 and 10 could protect the pepper leaves and grape fruits against infection by P. capsici and B. cinerea, resp. The possible mechanism of antifungal action for these compounds was also explored. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Recommanded Product: 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. 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.Recommanded Product: 2-Methoxyethylamine

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

Remote Site-Selective Radical C(sp³)-H Monodeuteration of Amides using D₂O was written by Wang, Lin;Xia, Yong;Derdau, Volker;Studer, Armido. And the article was included in Angewandte Chemie, International Edition in 2021.Product Details of 109-85-3 The following contents are mentioned in the article:

Site-selective incorporation of deuterium into biol. active compounds is of high interest in pharmaceutical industry. A mild and environmentally benign metal-free method for the remote selective radical C-H monodeuteration of aliphatic C-H bonds in various amides with inexpensive heavy water (D₂O) as the deuterium source were presented. The method uses the easily installed N-allylsulfonyl moiety as an N-radical precursor that generates the remote C-radical via site-selective 1,5- or 1,6-hydrogen atom transfer (HAT). Me thioglycolate, that readily exchanges its proton with D₂O, serves as the radical deuteration reagent and as a chain-carrier. The highly site-selective monodeuteration was applied to different types of unactivated sp³-C-H bonds and also to the deuteration of C-H bonds next to heteroatoms. The potential utility of this method was further demonstrated by the site-selective incorporation of deuterium into natural product derivatives and drugs. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Product Details of 109-85-3).

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. Polyesters are important plastics, with monomers linked by ester moieties. 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.Product Details of 109-85-3

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

Lipid-Oriented Live-Cell Distinction of B and T Lymphocytes was written by Kwon, Haw-Young;Kumar Das, Raj;Jung, Gun Tae;Lee, Hong-Guen;Lee, Sun Hyeok;Berry, Stuart N.;Tan, Justin Kok Soon;Park, Solip;Yang, Jae-Seong;Park, Soohyun;Baek, Kangkyun;Park, Kyeng Min;Lee, Jae Won;Choi, Yun-Kyu;Kim, Ki Hean;Kim, Sangho;Kim, Kwang Pyo;Kang, Nam-Young;Kim, Kimoon;Chang, Young-Tae. And the article was included in Journal of the American Chemical Society in 2021.Product Details of 109-85-3 The following contents are mentioned in the article:

The identification of each cell type is essential for understanding multicellular communities. Antibodies set as biomarkers have been the main toolbox for cell-type recognition, and chem. probes are emerging surrogates. Herein we report the first small-mol. probe, CDgB, to discriminate B lymphocytes from T lymphocytes, which was previously impossible without the help of antibodies. Through the study of the origin of cell specificity, we discovered an unexpected novel mechanism of membrane-oriented live-cell distinction. B cells maintain higher flexibility in their cell membrane than T cells and accumulate the lipid-like probe CDgB more preferably. Because B and T cells share common ancestors, we tracked the cell membrane changes of the progenitor cells and disclosed the dynamic reorganization of the membrane properties over the lymphocyte differentiation progress. This study casts an orthogonal strategy for the small-mol. cell identifier and enriches the toolbox for live-cell distinction from complex cell communities. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Product Details of 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.Product Details of 109-85-3

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

Bidentate Schiff base coordinated square planer nickel(II) complexes: Synthesis, crystal structure, DFT/TD-DFT calculation and DNA/protein binding was written by Patra, Apu;Puschmann, Horst;Manna, Subal Chandra. And the article was included in Polyhedron in 2021.Category: ethers-buliding-blocks The following contents are mentioned in the article:

Two mononuclear square planer Ni(II) complexes, [Ni(L¹)₂] (1) and [Ni(L²)₂] (2) [HL¹ = 2-[(2-Methoxy-ethylimino)-methyl]-phenol; HL² = 2-Methoxy-6-[(2-methoxy-ethylimino)-methyl]-phenol] were synthesized and characterized through x-ray single crystal structure determination and DFT/TDDFT calculation Both the complexes crystallize with P2₁/c space group. C-H…π interactions results 2-dimensional and 1-dimensional supramol. network of complexes 1 and 2, resp. Interaction of complexes with calf thymus DNA (CT-DNA), bovine serum albumin (BSA) and human serum albumin (HSA) were studied by using both UV-visible absorption and emission spectroscopic techniques, and the calculated values of intrinsic binding constants with CT-DNA are (1.43 ± 0.56) x 10⁶ M^-1 (for 1) and (1.25 ± 0.79) x 10⁶ M^-1 (for 2). This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Category: ethers-buliding-blocks).

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. 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.Category: ethers-buliding-blocks

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

Design, synthesis and cytotoxicity evalufation of substituted benzimidazole conjugated 1,3,4-oxadiazoles was written by Quy, Nguyen Phu;Hue, Bui Thi Buu;Do, Kiep Minh;Quy, Ha Thi Kim;De, Tran Quang;Phuong, Tran Thi Bich;Trang, Pham Cong;Quoc, Nguyen Cuong;Morita, Hiroyuki. And the article was included in Chemical & Pharmaceutical Bulletin in 2022.Application of 109-85-3 The following contents are mentioned in the article:

Two series of 2-substituted benzimidazole conjugated 1,3,4-oxadiazole derivatives were designed, synthesized and evaluated for their cytotoxic activities against the three human cancer cell lines (cervical cancer (HeLa), breast cancer (MCF-7) and lung cancer (A549)). As the results 14 compounds demonstrated consistent to stronger cytotoxicities compared to the control 5-fluorouracil (5-FU) towards the tested cell lines including 4c (HeLa); 4b, 4e, 4h, 7i-j, 7m-n, 7s (MCF-7); 7b (MCF-7, A549); 7h (HeLa, MCF-7); and 4d, 4i, 7c (HeLa, MCF-7, A549), with the IC₅₀ ranging from 2.7 to 38 μM. Notably, compound 4b illustrated almost 5-fold activity against the MCF-7 while 4d, 4i were 9- and 8-fold (HeLa), 4.5- and 13-fold (MCF-7), 4.7- and 4-fold (A549) increase in activity compared to 5-FU, resp., and were found as lead compounds These findings suggest that compounds 4b, 4d and 4i merit further characterization and can serve as promising scaffolds in the discovery of new potent anticancer agents. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Application of 109-85-3).

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. 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.Application of 109-85-3

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

4-Substituted Thieno[3,2-d]pyrimidines as Dual-Stage Antiplasmodial Derivatives was written by Lagardere, Prisca;Mustiere, Romain;Amanzougaghene, Nadia;Hutter, Sebastien;Franetich, Jean-Francois;Azas, Nadine;Vanelle, Patrice;Verhaeghe, Pierre;Primas, Nicolas;Mazier, Dominique;Masurier, Nicolas;Lisowski, Vincent. And the article was included in Pharmaceuticals in 2022.COA of Formula: C3H9NO The following contents are mentioned in the article:

Malaria remains one of the major health problems worldwide. The increasing resistance of Plasmodium to approved antimalarial drugs requires the development of novel antiplasmodial agents that can effectively prevent and/or treat this disease. Based on the structure of Gamhepathiopine, a 2-tert-butylaminothieno[3,2-d]pyrimidin-4(3H)-one hit, active on the sexual and asexual stages of the parasite and thanked for the introduction of various substituents at position 4 of the thienopyrimidine core e.g., I by nucleophilic aromatic substitution and pallado-catalyzed coupling reactions, a series of 4-substituted thieno[3,2-d]pyrimidines were identified as displaying in vitro activities against both the erythrocytic stage of P. falciparum and the hepatic stage of P. berghei. Among the 28 compounds evaluated, the chloro analog of Gamhepathiopine showed good activity against the erythrocytic stage of P. falciparum, moderate toxicity on HepG2, and better activity against hepatic P. berghei parasites, compared to Gamhepathiopine. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3COA of Formula: C3H9NO).

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. Polyesters are important plastics, with monomers linked by ester moieties. 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.COA of Formula: C3H9NO

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

Cu(I)-Catalyzed [2 + 2 + 1] Cycloaddition of Amines, Alkynes, and Ketenes: An Umpolung and Regioselective Approach to Full-Substituted β-Pyrrolinones was written by Wu, Hao;Li, Xinyao;Yan, Zixi;Ma, Nana;Song, Song;Zhang, Guisheng;Jiao, Ning. And the article was included in Organic Letters in 2021.Application of 109-85-3 The following contents are mentioned in the article:

Described here is a Cu-catalyzed [2 + 2 + 1] modular synthesis of full-substituted β-pyrrolinones I [R¹ = Bu, 2,6-dimethylphenyl, benzyl, etc.; R² = Me, Et, t-Bu, benzyl; R³ = Me, Et; E¹ = C(O)OMe, C₂F₅, CF₃] and II [E² = Me, Et; R⁴ = C(O)OMe, Ph, Me, Bn; R⁵ = 4-methoxyphenyl, 4-(methylcarbonyl)phenyl, (4-bromophenyl)methyl, 2-phenylethyl] from simple amines R¹NH₂, alkynes E¹CCC(O)OCH₃, and α-diazo-β-ketoesters R³C(O)C(=N₂)C(O)OR² or enamines E²O(O)CCH=C(R⁴)NHR⁵ with Et 2-diazo-3-oxobutanoate. This approach involving the regioselective C-nucleophilic attack of enamines, uncommon C-nucleophilic addition to ketenes, and umpolung of imines enables the direct synthesis of full-substituted β-pyrrolinones II, which were hardly constructed by traditional synthetic strategies. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Application of 109-85-3).

2-Methoxyethylamine (cas: 109-85-3) 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. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Application of 109-85-3

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

Massively Parallel Optimization of the Linker Domain in Small Molecule Dimers Targeting a Toxic r(CUG) Repeat Expansion was written by Vezina-Dawod, Simon;Angelbello, Alicia J.;Choudhary, Shruti;Wang, Kye Won;Yildirim, Ilyas;Disney, Matthew D.. And the article was included in ACS Medicinal Chemistry Letters in 2021.Quality Control of 2-Methoxyethylamine The following contents are mentioned in the article:

RNA contributes to disease pathobiol. and is an important therapeutic target. The downstream biol. of disease-causing RNAs can be short-circuited with small mols. that recognize structured regions. The discovery and optimization of small mols. interacting with RNA is, however, challenging. Herein, we demonstrate a massively parallel one-bead-one-compound methodol., employed to optimize the linker region of a dimeric compound that binds the toxic r(CUG) repeat expansion [r(CUG)^exp] causative of myotonic dystrophy type 1 (DM1). Indeed, affinity selection on a 331,776-member library allowed the discovery of a compound with enhanced potency both in vitro (10-fold) and in DM1-patient-derived myotubes (5-fold). Mol. dynamics simulations revealed addnl. interactions between the optimized linker and the RNA, resulting in ca. 10 kcal/mol lower binding free energy. The compound was conjugated to a cleavage module, which directly cleaved the transcript harboring the r(CUG)^exp and alleviated disease-associated defects. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Quality Control of 2-Methoxyethylamine).

2-Methoxyethylamine (cas: 109-85-3) 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. 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.Quality Control of 2-Methoxyethylamine

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