Tag: 0-100

Design, synthesis, and biological evaluation of 4-(1H-1,2,3-triazol-1-yl)benzamides as HSP90 inhibitors was written by He, Tingting;Zhu, Shulei;Lu, Wei. And the article was included in Molecular Diversity.Application of 109-85-3 The following contents are mentioned in the article:

Heat shock protein 90 (HSP90) is a promising anticancer drug target, which could be employed to construct HSP90 inhibitors-based drug conjugates for selective tumor therapy. Herein, a series of 4-(1H-1,2,3-triazol-1-yl)benzamides I [R = Me, n-Bu, n-Hexyl, etc.] were rationally designed, synthesized as HSP90 inhibitors, and their structures were characterized by ¹H NMR, ¹³C NMR, and HR-MS. Preliminary HSP90 binding assay showed that compounds I [R = Bu, tetrahydrofuran-3-yl, tetrahydro-2H-pyran-4-yl, 1,1-dioxo-tetrahydrothiopyran-4-yl, 2-cis-hydroxycyclopentyl, 4-transhydroxycyclohexyl] exhibited significant HSP90α binding affinity. Among these selected compound I [R = 4-transhydroxycyclohexyl] displayed the most potent anti-proliferative activities and particularly in Capan-1 cell line. Mol. modeling studies also confirmed possible mode of interaction between 6u and the binding sites of HSP90 by hydrogen bond and hydrophobic interactions. Above all, these encouraging data indicated that compound I [R = 4-transhydroxycyclohexyl] could be used as a HSP90 inhibitor for further study and helped the recognition of the 4-(1H-1,2,3-triazol-1-yl)benzamide motif as a new scaffold for HSP90 inhibitors. 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. 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 of 109-85-3

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

Hexadentate technetium-99m bis(thiosemicarbazonato) complexes: synthesis, characterization and biodistribution was written by Kelderman, Cormac A. A.;Davey, Patrick R. W. J.;Ma, Michelle T.;de Veer, Michael;Salimova, Ekaterina;Donnelly, Paul S.;Paterson, Brett M.. And the article was included in Dalton Transactions in 2022.Safety of 2-Methoxyethylamine The following contents are mentioned in the article:

The syntheses of non-oxido/non-nitrido bis(thiosemicarbazonato)technetium(V) complexes featuring a series of alkyl and ether substituents is presented. The bis(thiosemicarbazones) were radiolabeled with technetium-99m using an optimized one-pot synthesis from [^99mTc][TcO₄]^–. Mass spectrometry and computational chem. data suggested a distorted trigonal prismatic coordination environment for the bis(thiosemicarbazonato)technetium(V) complexes by way of a bis(thiosemicarbazone)technetium(V)-oxido intermediate complex. The lipophilicities of the complexes were estimated using distribution ratios and three of the new complexes were investigated in mice using kinetic planar imaging and ex vivo biodistribution experiments and were compared to [^99mTc][TcO₄]^–. Modification of the technetium complexes with various lipophilic functional groups altered the biodistributions of the complexes in mice despite evidence suggesting limited stability of the complexes to biol. relevant conditions. The most hydrophilic complex had higher uptake in the kidneys compared to the most lipophilic, which had higher liver uptake, suggesting modification of the excretion pathways. 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. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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. Safety of 2-Methoxyethylamine

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

Quantifying polypeptoid conformational landscapes through integrated experiment and simulation was written by Jiao, Sally;DeStefano, Audra;Monroe, Jacob I.;Barry, Mikayla;Sherck, Nicholas;Casey, Thomas;Segalman, Rachel A.;Han, Songi;Shell, M. Scott. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Computed Properties of C3H9NO The following contents are mentioned in the article:

We combine experiment and simulation to develop a powerful, validated approach for characterizing the conformational landscapes of disordered polypeptoids. Polypeptoids have become an important class of polymers, capable of precisely defined sequences while remaining gram-synthesizable-properties that have driven a rapidly expanding set of applications, including antifoulants, therapeutics, sensing, and directed self-assembly. The characterization of polypeptoid structure provides critical mol. insight into sequence-structure-function relationships. Structurally disordered polypeptoids require new approaches to interrogate their wide range of conformations in solution Here, we measure full end-to-end distance distributions, instead of configurational averages, using double electron-electron resonance (DEER) spectroscopy and enhanced sampling mol. modeling. We demonstrate excellent agreement between the experiments and simulations for a set of model hydrophilic polypeptoids. Moreover, we illustrate the utility of this combined experiment-simulation approach in probing structure-function relationships by characterizing the basic polymer physics of this polypeptoid series, demonstrating that the polypeptoids probed here exhibit excluded volume behavior. 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. 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.Computed Properties of C3H9NO

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

Development of a degrader against oncogenic fusion protein FGFR3-TACC3 was written by Shibata, Norihito;Cho, Nobuo;Koyama, Hiroo;Naito, Mikihiko. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2022.Electric Literature of C3H9NO The following contents are mentioned in the article:

Fibroblast growth factor receptor 3-transforming acidic coiled-coil containing protein 3 (FGFR3-TACC3), which has been identified in many cancers such as glioblastoma and bladder cancer, is a potent oncogenic fusion protein that induces constitutive activation of FGFR signaling, resulting in uncontrolled cell proliferation. Although several tyrosine kinase inhibitors against FGFR are currently under development, resistance to such types of inhibitors in patients has become a concern. In this study, a chimeric mol. SNIPER(TACC3)-11 I was developed and found to reduce FGFR3-TACC3 levels effectively. Compound I conjugated KHS108 (a TACC3 ligand) to an LCL161 derivative II (an inhibitor of apoptosis protein [IAP] ligand) with a PEG linker (n = 2). Mechanistical anal. showed that cellular IAP1 was required for the reduction of FGFR3-TACC3 levels. Consistent with the decrease in FGFR3-TACC3 levels, compound I suppressed the growth of FGFR3-TACC3 pos. cells. Thus, compound I is a candidate therapeutic with a novel drug modality against cancers that exhibit FGFR3-TACC3-dependent proliferation and exerts pharmacol. effects distinct from FGFR3 kinase inhibitors because it lacks substructures crucial for kinase inhibition. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Electric Literature 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. 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.Electric Literature of C3H9NO

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

Phosphorus-Based Organocatalysis for the Dehydrative Cyclization of N-(2-Hydroxyethyl)amides into 2-Oxazolines was written by Soleymani Movahed, Farzaneh;Foo, Siong Wan;Mori, Shogo;Ogawa, Saeko;Saito, Susumu. And the article was included in Journal of Organic Chemistry in 2022.Quality Control of 2-Methoxyethylamine The following contents are mentioned in the article:

A metal-free, biomimetic catalytic protocol for the cyclization of N-(2-hydroxyethyl)amides to the corresponding 2-oxazolines (4,5-dihydrooxazoles), promoted by the 1,3,5,2,4,6-triazatriphosphorine (TAP)-derived organocatalyst tris(o-phenylenedioxy)cyclotriphosphazene was developed. This approach required less precatalyst compared to the reported relevant systems, with respect to the phosphorus atom (the maximum turnover number (TON) ~30), and exhibited a broader substrate scope and higher functional-group tolerance, providing the functionalized 2-oxazolines with retention of the configuration at the C(4) stereogenic center of the 2-oxazolines. Widely accessible β-amino alcs. was used in this approach and the cyclization of N-(2-hydroxyethyl)amides provided the desired 2-oxazolines in up to 99% yield. The mechanism of the reaction was studied by monitoring the reaction using spectral and anal. methods, whereby an ¹⁸O-labeling experiment furnished valuable insights. The initial step involved a stoichiometric reaction between the substrate and tris(o-phenylenedioxy)cyclotriphosphazene, which lead to the in-situ generation of the catalyst, a catechol cyclic phosphate, as well as to a pyrocatechol phosphate and two possible active intermediates. The dehydrative cyclization was also successfully conducted on the gram scale. 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. 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.Quality Control of 2-Methoxyethylamine

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

Streptochlorin analogues as potential antifungal agents: Design, synthesis, antifungal activity and molecular docking study was written by Gao, Ya;Huang, Dai-Chuan;Liu, Chang;Song, Zi-Long;Liu, Jing-Rui;Guo, Shu-Ke;Tan, Jun-Yang;Qiu, Run-Ling;Jin, Bing;Zhang, Haifeng;Mulholland, Nick;Han, Xinya;Xia, Qinfei;Ali, Abdallah S.;Guo, Dale;Deng, Yun;Gu, Yu-Cheng;Zhang, Ming-Zhi. And the article was included in Bioorganic & Medicinal Chemistry in 2021.Category: ethers-buliding-blocks The following contents are mentioned in the article:

Streptochlorin is a small mol. of indole alkaloid isolated from marine Streptomyces sp., it is a promising lead compound due to its potent bioactivity in preventing many phytopathogens in our previous study, but further structural modifications are required to improve its antifungal activity. Our work in this paper focused on the replacement of oxazole ring in streptochlorin with the imidazole ring, to discover novel analogs. Based on this design strategy, three series of streptochlorin analogs were efficiently synthesized through sequential Vilsmeier-Haack reaction, Van Leusen imidazole synthesis and halogenation reaction. Some of the analogs displayed excellent activity in the primary assay, and this is highlighted by compounds I and II, the growth inhibition against Alternaria Leaf Spot and Rhizoctorzia solani under 50μg/mL are 97.5% and 90.3%, resp., even more active than those of streptochlorin, pimprinine and Osthole. Mol. docking models indicated that streptochlorin binds with Thermus thermophiles Leucyl-tRNA Synthetase in a similar mode to AN2690, offering a perspective on the mode of action study for antifungal activities of streptochlorin derivatives Further study is still ongoing with the aim of discovering synthetic analogs, with improved antifungal activity and clear mode of action. 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Category: ethers-buliding-blocks

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

Selective and effective anticancer agents: Synthesis, biological evaluation and structure-activity relationships of novel carbazole derivatives was written by Huang, Wenbo;Gao, Zilin;Zhang, Zhigang;Fang, Wei;Wang, Zuoqian;Wan, Zhongyi;Shi, Liqiao;Wang, Kaimei;Ke, Shaoyong. And the article was included in Bioorganic Chemistry in 2021.Reference of 109-85-3 The following contents are mentioned in the article:

The aim of this article was to explore new chem. entities containing carbazole scaffold as potential novel cytotoxic agents based on our developed three-component indole-to-carbazole reaction. Two series of carbazoles, compounds I [R¹ = H, Me; R² = cyclohexyl, 4-fluorophenyl, quinolin-8-yl, etc.] and II [R³ = H, Me; R⁴ = methoxyethyl, (methylsulfonyl)ethyl, 4-fluorophenethyl, etc.] were designed and synthesized, and their in-vitro cytotoxic activities against three cell lines (A875, HepG2, and MARC145) were evaluated. The results indicated that some of these carbazole derivatives exhibited significantly good cytotoxic activities against tested cell lines compared with the control 5-fluorouracil (5-FU). Especially, carbazole acylhydrazone, compounds I [R¹ = H, R² = benzodioxol-5-ylmethyl] and [R¹ = Me, R² = 4-chlorophenyl] displayed high inhibitory activity on cancer cells, but almost no activity on normal cells. Further anal. of induced apoptosis for potential compounds indicated that the potential antitumor agents induced cell death in A875 cells at least partly (initially) by apoptosis, which might be used as promising lead scaffold for discovery of novel carbazole-type cytotoxic agents. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Reference 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. 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.Reference of 109-85-3

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

Simple method to assess autoignition temperature of organic ether compounds with high reliability for process safety was written by Nazari, Behzad;Keshavarz, Mohammad Hossein;Roohi, Fatemeh. And the article was included in Journal of Thermal Analysis and Calorimetry in 2022.Quality Control of 2-Methoxyethylamine The following contents are mentioned in the article:

The knowledge of autoignition temperature (AIT) for organic ether compounds is essential because they usually have low m.ps. where their leakage can provide potential hazard of flammability during heating. Since the reported data of the AIT for different types of ether materials are scarce, special attention in industries and processes should be considered for handling, transport, and storage of these compounds with the unknown values of the AIT. Due to the potential hazard of flammability of organic ether compounds, it is important to have a reliable method for prediction of their AIT than available methods. This work introduces the initial and the improved correlations for estimating the values of the AIT of different categories of organic ether compounds including complex structures and polar groups. The initial correlation is based on the number of carbon and hydrogen atoms but the improved correlation contains two further correcting variables. Different statistical parameters are used to assess the high trustworthy of the improved correlation as compared to two of the best available predictive methods. For 115 organic ether compounds given in training and test sets, the value of Mean Absolute Percent Error (MAPE) of the improved model is 5.93, which is much less than two comparative methods, i.e., 18.96 and 12.69. 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. 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. 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.Quality Control of 2-Methoxyethylamine

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

Structural elucidation of chiral (imino)pyridine/phosphine palladium(II) complexes and their applications as catalysts in methoxycarbonylation of styrene was written by Ngcobo, Nondumiso L.;Akiri, Saphan O.;Ogweno, Aloice O.;Ojwach, Stephen O.. And the article was included in Polyhedron in 2021.Safety of 2-Methoxyethylamine The following contents are mentioned in the article:

Treatment of ligands (S)-1-phenyl-N-(1-(pyridin-2-yl)ethylidene)ethanamine (L1), (R)-1-phenyl-N-(1-(pyridin-2-yl)ethylidene)ethanamine (L2), (S)-1-phenyl-N-((pyridin-2-yl)methylene)ethanamine (L3), (R)-1-phenyl-N-((pyridin-2-yl)methylene)ethanamine (L4), (S)-N-(2-(diphenylphosphino)benzylidene)-1-phenylethanamine (L5), and (R)-N-(2-(diphenylphosphino)benzylidene)-1-phenylethanamine (L6) with [Pd(COD)Cl₂] afforded the resp. palladium complexes [Pd(L1)Cl₂] (1), [Pd(L2)Cl₂] (2), [Pd(L3)Cl₂] (3), [Pd(L4)Cl₂] (4), [Pd(L5)Cl₂] (5) and [Pd(L6)Cl₂] (6) in high yields. Solid-state structures of the complexes established NN̂ and NP̂ bidentate coordination mode of the ligands to give distorted square planar geometries. Complexes 1–6 displayed moderate catalytic activities in the methoxycarbonylation of styrene, to give predominantly branched esters of up to 95%. NMR spectroscopy studies pointed to possible decomposition of the active species, via ligand dissociation 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 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. 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-Methoxyethylamine

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

A novel peptidomimetic therapeutic for selective suppression of lung cancer stem cells over non-stem cancer cells was written by Shukla, Satya Prakash;Raymond, Aaron;Rustagi, Vineeta;Kedika, Samanth R.;Tran, Olivia;Wang, Liye;Guo, Bin;Udugamasooriya, D. Gomika. And the article was included in Bioorganic Chemistry in 2021.Recommanded Product: 2-Methoxyethylamine The following contents are mentioned in the article:

Cancers are highly heterogeneous and typically contain a small subset of drug-resisting cells called tumor initiating cells or cancer stem cells (CSCs). CSCs can self-renew, divide asym., and often cause tumor invasion and metastasis. Therefore, treatments specifically targeting CSCs are critical to improve patient survival. Recently, we identified a highly specific peptidomimetic (peptoid – PCS2) that selectively binds to the CSC subpopulation of lung cancer over the remaining cancer cells (non-CSCs). Subsequently, we identified plectin as the target of PCS2. Plectin is an intracellular structural protein, which is involved in tumor invasion and metastasis when it appears on cell surface. While PCS2 monomer did not display any anti-cancer activity, we designed a series of homo-dimeric versions of PCS2, and identified PCS2D1.2 optimized homo-dimer that displayed highly specific cytotoxicity towards CSCs over non-CSCs. PCS2D1.2 effectively blocked the in vitro colony formation and cell migration, hallmarks of CSCs. Furthermore, PCS2D1.2 reduced the in vivo tumor formation. In both in vitro and in vivo studies, PCS2D1.2 effectively reduced plectin expression and/or plectin-rich CSCs, but had no effect on non-CSCs. Therefore, PCS2D1.2 has the potential to be developed as a highly CSC specific drug candidate, which can be used in combination with current anti-cancer drugs. 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 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.Recommanded Product: 2-Methoxyethylamine

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