Month: October 2022

Application of 106685-40-9In 2021 ,《Discovery of small-molecule inhibitors of SARS-CoV-2 proteins using a computational and experimental pipeline》 was published in Frontiers in Molecular Biosciences. The article was written by Lau, Edmond Y.; Negrete, Oscar A.; Bennett, W. F. Drew; Bennion, Brian J.; Borucki, Monica; Bourguet, Feliza; Epstein, Aidan; Franco, Magdalena; Harmon, Brooke; He, Stewart; Jones, Derek; Kim, Hyojin; Kirshner, Daniel; Lao, Victoria; Lo, Jacky; McLoughlin, Kevin; Mosesso, Richard; Murugesh, Deepa K.; Saada, Edwin A.; Segelke, Brent; Stefan, Maxwell A.; Stevenson, Garrett A.; Torres, Marisa W.; Weilhammer, Dina R.; Wong, Sergio; Yang, Yue; Zemla, Adam; Zhang, Xiaohua; Zhu, Fangqiang; Allen, Jonathan E.; Lightstone, Felice C.. The article contains the following contents:

A rapid response is necessary to contain emergent biol. outbreaks before they can become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first reported in Dec. of 2019 in Wuhan, China and reached most corners of the globe in less than two months. In just over a year since the initial infections, COVID-19 infected almost 100 million people worldwide. Although similar to SARS-CoV and MERS-CoV, SARS-CoV-2 has resisted treatments that are effective against other coronaviruses. Crystal structures of two SARS-CoV-2 proteins, spike protein and main protease, have been reported and can serve as targets for studies in neutralizing this threat. We have employed mol. docking, mol. dynamics simulations, and machine learning to identify from a library of 26 million mols. possible candidate compounds that may attenuate or neutralize the effects of this virus. The viability of selected candidate compounds against SARS-CoV-2 was determined exptl. by biolayer interferometry and FRET-based activity protein assays along with virus-based assays. In the pseudovirus assay, imatinib and lapatinib had IC50 values below 10μM, while candesartan cilexetil had an IC50 value of approx. 67μM against Mpro in a FRETbased activity assay. Comparatively, candesartan cilexetil had the highest selectivity index of all compounds tested as its half-maximal cytotoxicity concentration 50 (CC50) value was the only one greater than the limit of the assay (>100μM). In the experiment, the researchers used many compounds, for example, 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9Application of 106685-40-9)

6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas:106685-40-9) is a third-generation synthetic retinoid and a highly lipophilic compound derived from naphthoic acid. It is widely used in the treatment of acne.Application of 106685-40-9

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Electric Literature of C9H19NO4In 2019 ,《Structure-activity relationship studies on Bax activator SMBA1 for the treatment of ER-positive and triple-negative breast cancer》 was published in European Journal of Medicinal Chemistry. The article was written by Liu, Gang; Yin, Tao; Kim, Hyejin; Ding, Chunyong; Yu, Zhuo; Wang, Hong; Chen, Haiying; Yan, Ruping; Wold, Eric A.; Zou, Hao; Liu, Xi; Ding, Ye; Shen, Qiang; Zhou, Jia. The article contains the following contents:

In an effort to develop novel Bax activators for breast cancer treatment, a series of diverse analogs have been designed and synthesized based on lead compound SMBA1 through several strategies, including introducing various alkylamino side chains to have a deeper access to S184 pocket, replacing carbon atoms with nitrogen, and reducing the nitro group of 9H-fluorene scaffold. Compounds 14 (CYD-2-11, I) and 49 (CYD-4-61, II) have been identified to exhibit significantly improved antiproliferative activity compared to SMBA1, with IC50 values of 3.22 μM and 0.07 μM against triple-neg. breast cancer MDA-MB-231 and 3.81 μM and 0.06 μM against ER-pos. breast cancer MCF-7 cell lines, resp. Mechanism of action studies of II indicated that it can activate Bax protein to induce cytochrome c release and regulate apoptotic biomarkers, leading to cancer cell apoptosis. Further in vivo efficacy studies of I and II in nude mice bearing MDA-MB-231 tumor xenografts demonstrated that these drug candidates can significantly suppress tumor growth, indicating their therapeutic potential for the treatment of breast cancer. In addition to this study using tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate, there are many other studies that have used tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Electric Literature of C9H19NO4) was used in this study.

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers.The C-O bonds that comprise simple ethers are strong. Electric Literature of C9H19NO4 They are unreactive toward all but the strongest bases. Although generally of low chemical reactivity, they are more reactive than alkanes.

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Name: 2-Hydroxy-4-methoxybenzaldehydeIn 2020 ,《Enantioselective Construction of Spirooxindole-Fused Cyclopenta[c]chromen-4-ones Bearing Five Contiguous Stereocenters via a Stepwise (3+2) Cycloaddition》 was published in Advanced Synthesis & Catalysis. The article was written by Vagh, Sandip Sambhaji; Karanam, Praneeth; Liao, Cheng-Chieh; Lin, Ting-Han; Liou, Yan-Cheng; Edukondalu, Athukuri; Chen, Yi-Ru; Lin, Wenwei. The article contains the following contents:

The bifunctional quinine-catalyzed stepwise (3+2) cycloaddition for the enantioselective construction of spirooxindole-fused cyclopenta[c]chromen-4-ones, e.g., I was developed. The reactions of 3-homoacylcoumarins and alkylidene oxindole electrophiles generate aforementioned spirooxindole-chromenone adducts bearing five contiguous stereocenters, of which one was the spiro all-carbon quaternary stereocenter in high yields (up to 99%) with excellent stereoselectivities (up to >20:1 dr and 99% ee). This methodol. was investigated for three different alkylidene oxindole electrophiles and could also be practically demonstrated on a gram scale. Mechanistic investigations revealed that the (3+2) cycloaddition for the enantioselective synthesis of spirooxindole-fused cyclopenta[c]chromen-4-ones was proceeding via a stepwise reaction pathway. In the experiment, the researchers used many compounds, for example, 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Name: 2-Hydroxy-4-methoxybenzaldehyde)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants. 2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.Name: 2-Hydroxy-4-methoxybenzaldehyde

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Name: 1-Iodo-2-methoxybenzeneIn 2021 ,《Design and Applications of a SO2 Surrogate in Palladium-Catalyzed Direct Aminosulfonylation between Aryl Iodides and Amines》 was published in Angewandte Chemie, International Edition. The article was written by Jia, Xiuwen; Kramer, Soeren; Skrydstrup, Troels; Lian, Zhong. The article contains the following contents:

A new SO2 surrogate is reported that is cheap, bench-stable, and can be accessed in just two steps from bulk chems. Essentially complete SO2 release is achieved in 5 min. Eight established sulfonylation reactions proceeded smoothly by ex situ formation of SO2 by utilizing a two-chamber system in combination with the SO2 surrogate. Furthermore, we report the first direct aminosulfonylation between aryl iodides and amines. Broad functional group tolerance is demonstrated, and the method is applicable to pharmaceutically relevant substrates, including heterocyclic substrates. The experimental process involved the reaction of 1-Iodo-2-methoxybenzene(cas: 529-28-2Name: 1-Iodo-2-methoxybenzene)

1-Iodo-2-methoxybenzene(cas: 529-28-2) participates in palladium catalyzed enantioselective Heck arylation of 2,3-dihydrofuran in the presence of chiral ionic liquids containing L-prolinate and L-lactate anions and non-chiral quaternary ammonium cations.Name: 1-Iodo-2-methoxybenzene

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HPLC of Formula: 4637-24-5In 2019 ,《Synthesis and Antibacterial Evaluation of Some New Thiazole-Based Polyheterocyclic Ring Systems》 was published in Journal of Heterocyclic Chemistry. The article was written by Abdel-Latif, Ehab; Almatari, Altaf S.; Abd-ElGhani, Ghada E.. The article contains the following contents:

2-Cyanoacetamido-thiazole (I) was employed as a key for the construction of 6-cyano-7-oxo-7H-thiazolo[3,2-a]pyrimidine which underwent reaction with hydrazine, malononitrile, Et cyanoacetate, and/or various 1,3-bi-nucleophilic reagents furnished the corresponding tri-heterocyclic and tetra-heterocyclic ring systems. In addition, the reactions of I with various types of arylidene-malononitriles and/or Et 3-aryl-2-cyanoacrylates yielded the corresponding 1-thiazolyl-pyridine derivatives Furthermore, treatment of the precursor I with carbon disulfide and Me iodide afforded the ketene dithioacetal derivative which cyclized upon heating with hydrazine and/or 2-aminobenzimidazole into the corresponding derivatives of N-(thiazol-2-yl)-1H-pyrazole-4-carboxamide and N-(thiazol-2-yl)benzimidazo[1,2-a]-pyrimidine-3-carboxamide. The antibacterial properties of these thiazole-based heterocycles were examined against panel of two bacterial strains. In the experimental materials used by the author, we found N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5HPLC of Formula: 4637-24-5)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Amines have a free lone pair with which they can coordinate to metal centers. Amine–metal bonds are weaker because amines are incapable of backbonding, but they are still important for sensing applications.While stronger than hydrogen bonds, amine–metal bonds are still weaker than both covalent and ionic bonds.HPLC of Formula: 4637-24-5

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《Benzaldehyde and derivatives N(4)-phenyl-3-thiosemicarbazones: synthesis, characterization and biological activity》 was written by Glinma, Bienvenu; Medegan, Sedami; Yayi, Eleonore; Kpoviessi, Salome; Bero, Joanne; Quetin-Leclercq, Joelle; Poupaert, Jacques; Accrombessi, Georges; Gbaguidi, Fernand. SDS of cas: 135-02-4This research focused onthiosemicarbazone preparation antiparasitic activity. The article conveys some information:

A class of small mols., thiosemicarbazones and derivatives have been studied over the last few years due to their wide pharmacol. versatility. Due to having this wide-spectrum biol. activity, interest on these compounds has been considerably increased in the pharmaceutical sector at the present time. Here, benzaldehyde and derivatives were used on N(4)-phenyl-3-thiosemicarbazide with glacial acetic acid to synthesize four thiosemicarbazones corresponding (1-4) in good yields (64-85%). Structures of compounds were characterized by spectrometric alanal.: FT-IR, NMR 1H & 13C and MS spectra. A theor. study based on their chem. structure has been made. In vitro antiparasitic activity of products has been evaluated on the on the bloodstream form of the strain 427 of Trypanosoma bruceibrucei. All compounds presented phys. properties compatible with reasonable pharmacokinetics and drug availability, but they showed a low half inhibitory concentration (IC50> 100 μM) and then were not actives on the trypanosomes tested. Other biol. activity would be explored on other pathogens. The experimental part of the paper was very detailed, including the reaction process of 2-Methoxybenzaldehyde(cas: 135-02-4SDS of cas: 135-02-4)

2-Methoxybenzaldehyde(cas: 135-02-4) is found in cassia oil, cinnamon bark, and cinnamon bark oil. It is a clear colorless liquid with a strong aroma. It has been used to examine the acaricidal activity of Periploca sepium oil and its active component against Tyrophagus putrescentiae.SDS of cas: 135-02-4

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Related Products of 74029-40-6On May 15, 2009 ,《p-Diethynylbenzene-based molecular wires, Fe-CC-p-C6H2X2-CC-Fe [Fe = Fe(η5-C5Me5)(dppe)]: Synthesis, substituent effects and unexpected formation of benzodifuran complex》 appeared in Journal of Organometallic Chemistry. The author of the article were Matsuura, Yumi; Tanaka, Yuya; Akita, Munetaka. The article conveys some information:

P-diethynylbenzene-based mol. wires, [Fe]-CC-p-C6H2X2-CC-[Fe] (3; [Fe] = FeCp*(dppe)), were prepared from reactions of cyclopentadienyliron chloride with diethynylbenzenes and their wire-like performance is estimated from the KC and Vab values. Electron-donating substituents (X) improve the performance. The dinuclear benzodifuran complex 4 unexpectedly formed from the derivative with X = OH shows the performance comparable to 3. In the experimental materials used by the author, we found 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Related Products of 74029-40-6)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.Oxygen is more electronegative than carbon, thus the alpha hydrogens of ethers are more acidic than those of simple hydrocarbons. Related Products of 74029-40-6 They are far less acidic than alpha hydrogens of carbonyl groups (such as in ketones or aldehydes), however.

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In 2019,Angewandte Chemie, International Edition included an article by Liu, Feipeng; Dong, Zhe; Wang, Jianchun; Dong, Guangbin. Related Products of 529-28-2. The article was titled 《Palladium/Norbornene-Catalyzed Indenone Synthesis from Simple Aryl Iodides: Concise Syntheses of Pauciflorol F and Acredinone A》. The information in the text is summarized as follows:

To show the synthetic utility of palladium/norbornene (Pd/NBE) cooperative catalysis, here we report concise syntheses of indenone-based natural products, pauciflorol F and acredinone A, which are enabled by direct annulation between aryl iodides and unsaturated carboxylic acid anhydrides. Compared to the previous indenone preparation approaches, this method allows simple aryl iodides to be used as substrates with complete control of the regioselectivity. The total synthesis of acredinone A features two different Pd/NBE-catalyzed ortho acylation reactions for constructing penta-substituted arene cores, including the development of a new ortho acylation/ipso borylation. The experimental process involved the reaction of 1-Iodo-2-methoxybenzene(cas: 529-28-2Related Products of 529-28-2)

1-Iodo-2-methoxybenzene(cas: 529-28-2) is a useful synthetic intermediate. It can be used in the synthesis of piperidinyl diaminopyrimidines as cyclin-dependent kinase inhibitors with antitumor activity and polysubstituted benzofuran derivatives as novel inhibitors of parasitic growth.Related Products of 529-28-2

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In 2019,Chemistry – A European Journal included an article by Schwarz, Christopher; Scharf, Lennart T.; Scherpf, Thorsten; Weismann, Julia; Gessner, Viktoria H.. Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane. The article was titled 《Isolation of the Metalated Ylides [Ph3P-C-CN]M (M = Li, Na, K): Influence of the Metal Ion on the Structure and Bonding Situation》. The information in the text is summarized as follows:

The isolation and structural characterization of the cyanido-substituted metalated ylides [Ph3P-C-CN]M (1-M; M = Li, Na, K) are reported with lithium, sodium, and potassium as metal cations. In the solid-state, most different aggregates could be determined depending on the metal and addnl. Lewis bases. The crown-ether complexes of sodium (1-Na) and potassium (1-K) exhibited different structures, with sodium preferring coordination to the nitrogen end, whereas potassium binds in an unusual η2-coordination mode to the two central carbon atoms. The formation of the yldiide was accompanied by structural changes leading to shorter C-C and longer C-N bonds. This could be attributed to the delocalization of the free electron pairs at the carbon atom into the antibonding orbitals of the CN moiety, which was confirmed by IR spectroscopy and computational studies. Detailed d. functional theory calculations show that the changes in the structure and the bonding situation were most pronounced in the lithium compounds due to the higher covalency. In the experiment, the researchers used 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane

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In 2019,Russian Journal of Organic Chemistry included an article by Hakobyan, R. M.. HPLC of Formula: 4637-24-5. The article was titled 《Synthesis of Symmetrical Bisisoquinolinediones》. The information in the text is summarized as follows:

A method of synthesis of 1,1′-(alkanediyl)bis{3-cyano-4-[4,5,5-trimethyl-2-oxo-5H-furan-3-yl]-pyridin-2(1H)-ones} from the corresponding lactones is developed. The synthesized compounds underwent intramol. cyclization to form sym. 7,7′-(alkanediyl)bis{5-amino-3,3-dimethylfuro[3,4-f]isoquinoline-1,6(3H,7H)-diones}. The experimental part of the paper was very detailed, including the reaction process of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5HPLC of Formula: 4637-24-5)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Aniline, ethanolamines, and several other amines are major industrial commodities used in making rubber, dyes, pharmaceuticals, and synthetic resins and fibres and for a host of other applications. Most of the numerous methods for the preparation of amines may be broadly divided into two groups: (1) chemical reduction (replacement of oxygen with hydrogen atoms in the molecule) of members of several other classes of organic nitrogen compounds and (2) reactions of ammonia or amines with organic compounds.HPLC of Formula: 4637-24-5

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