Tag: 100-200

Fang, Lincheng; Hu, Zhaoxue; Yang, Yifei; Chen, Pan; Zhou, Jinpei; Zhang, Huibin published an article in 2021. The article was titled 《Discovery of 3,5-dimethylisoxazole derivatives as novel, potent inhibitors for bromodomain and extraterminal domain (BET) family》, and you may find the article in Bioorganic & Medicinal Chemistry.COA of Formula: C4H7NO2S The information in the text is summarized as follows:

Bromodomain and extra-terminal (BET) is a promising therapeutic target for various hematol. cancers. We used the BRD4 inhibitor compound 13 (I) as a lead compound to develop a variety of compounds, and we introduced diverse groups into the position of the compound 13 orienting toward the ZA channel. A series of compounds bearing triazolopyridazine motif exhibited remarkable BRD4 protein inhibitory activities. Among them, compound 39 (II) inhibited BRD4(BD1) protein with an IC50 of 0.003μM which was superior to lead compound 13. Meanwhile, compound 39 possess activity, IC50 = 2.1μM, in antiproliferation activity against U266 cancer cells. On the other hand, compound 39 could arrest tumor cells into the G0/G1 phase and induce apoptosis, which was consistent with its results in inhibiting cell proliferation. Biol. and biochem. data suggest that BRD4 protein might be a therapeutic target and that compound 39 is an excellent lead compound for further development. The experimental process involved the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1COA of Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) 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.COA of Formula: C4H7NO2S

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Geffers, Finn J.; Kurth, Florens R.; Jones, Peter G.; Werz, Daniel B. published an article in 2021. The article was titled 《Alkyne Aminopalladation/Heck and Suzuki Cascades: An Approach to Tetrasubstituted Enamines》, and you may find the article in Chemistry – A European Journal.Computed Properties of C5H11NO3 The information in the text is summarized as follows:

Alkyne aminopalladation reactions starting from tosylamides, e.g., (E)-N-(5-(2-(but-2-en-1-yloxy)phenyl)pent-4-yn-1-yl)-4-Me N-((perfluorobenzoyl)oxy)benzenesulfonamide are reported. The emerging vinylic Pd species are converted either in an intramol. Heck reaction with olefinic units or in an intermol. Suzuki reaction by using boronic acids RB(OH)2 (R = C6H5, 4-ClC6H4, 2-thienyl, etc.) exhibiting broad functional group tolerance. Tetra(hetero)substituted tosylated enamines, e.g., I are obtained in a simple one-pot process.N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Computed Properties of C5H11NO3) was used in this study.

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Computed Properties of C5H11NO3

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Ester – Wikipedia,
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Zhang, Shuguang; Tan, Xin; Liang, Chaogen; Zhang, Weihua published their research in Journal of Heterocyclic Chemistry in 2021. The article was titled 《Design, synthesis, and antifungal evaluation of novel coumarin-pyrrole hybrids》.Recommanded Product: 609-14-3 The article contains the following contents:

A series of coumarin derivatives I [R1 = H, CH3, CH2CH3, Cl; R2 = H, CH3, CF3, CH2Cl, (CH2)2CH3; R3 = H, CH3, OH; R4 = H, CH3; R5 = H, CH3; R1R2 = -(CH2)3-] bearing a pyrrole scaffold was designed, prepared, and assessed for their in vitro antifungal activities against six phytopathogenic fungi. The antifungal activity screening results suggest that some synthesized hybrids exhibited potential fungicidal activities against the tested fungi. In particular, compounds I (R1 = R5 = H, R2 = CH3, R3 = OH, R4 = CH3; R1 = R5 = H, R2 = (CH2)2CH3, R3 = OH, R4 = CH3; R1 = R4 = H, R2 = R3 = R5 = CH3; R1 = R4 = H, R3 = R5 = CH3, R2 = CF3; R1 = R4 = H, R3 = R5 = CH3, R2 = (CH2)2CH3) displayed significant antifungal effects against Rhizoctonia solani, and possessed EC50 values of 3.94, 7.75, 6.38, 6.25, and 7.67μg/ mL, resp. The above activities are more potent than the commercialized fungicide Boscalid (11.52μg/mL) and Osthole (9.79μg/mL). These results provide a significant reference for further rational design of coumarin-based fungicides. The experimental process involved the reaction of Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Recommanded Product: 609-14-3)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Recommanded Product: 609-14-3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Cai, Mao; Xu, Kaini; Li, Yuze; Nie, Zongxiu; Zhang, Long; Luo, Sanzhong published their research in Journal of the American Chemical Society in 2021. The article was titled 《Chiral Primary Amine/Ketone Cooperative Catalysis for Asymmetric α-Hydroxylation with Hydrogen Peroxide》.Quality Control of Ethyl 2-methyl-3-oxobutanoate The article contains the following contents:

Carbonyls and amines are yin and yang in organocatalysis as they mutually activate and transform each other. These intrinsically reacting partners tend to condense with each other, thus depleting their individual activity when used together as cocatalysts. Though widely established in many prominent catalytic strategies, aminocatalysis and carbonyl catalysis do not coexist well, and, as such, a cooperative amine/carbonyl dual catalysis remains essentially unknown. Here we report a cooperative primary amine and ketone dual catalytic approach for the asym. α-hydroxylation of β-ketocarbonyls with H2O2. Besides participating in the typical enamine catalytic cycle, the chiral primary amine catalyst was found to work cooperatively with a ketone catalyst to activate H2O2 via an oxaziridine intermediate derived from an in-situ-generated ketimine. Ultimately, this enamine-oxaziridine coupling facilitated the highly controlled α-hydroxylation of several β-ketocarbonyls in excellent yield and enantioselectivity. Notably, late-stage hydroxylation for peptidyl amide or chiral esters can also be achieved with high stereoselectivity. In addition to its operational simplicity and mild conditions, this cooperative amine/ketone catalytic approach also provides a new strategy for the catalytic activation of H2O2 and expands the domain of typical amine and carbonyl catalysis to include this challenging transformation. The experimental part of the paper was very detailed, including the reaction process of Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Quality Control of Ethyl 2-methyl-3-oxobutanoate)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Quality Control of Ethyl 2-methyl-3-oxobutanoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Xiaohua; Xue, Yang; Ma, Xinyu; Guo, Ruiwei published their research in Macromolecular Chemistry and Physics in 2021. The article was titled 《Direct Determination of Interchain Transfer Constants of Benzyl Acrylate to Poly(Ethyl Acrylate) by RAFT Polymerization and Polymer Chromatography》.Application In Synthesis of Benzyl acrylate The article contains the following contents:

Interchain transfer is an important side reaction in radical polymerization of acrylates and has significant effects on both reaction kinetics and the resulting polymer microstructures. In this study, an effective method for direct determination of the interchain transfer constant (Ctr) is established via the combination of RAFT polymerization of a monomer in the presence of another prepared polymer and subsequent separation using polymer chromatog. The Ctr of benzyl acrylate (BzA) to poly(Et acrylate) (PEA) is determined with benzyl N-carbazole dithiocarbamate (BCBD) as the RAFT agent and the effects of polymerization recipe, such as BzA/BCBD mole ratios, BzA/PEA mass ratios, and solvent amounts on Ctr determination investigated. The results indicate that interchain transfer reactions show clear short chain radical effects in early stage of RAFT polymerization and the exptl. recipes have little influence on the determination The Ctr values are in the range of 1-2 x 10-4 at 90-120°C and the activation energy of Ctr at 47.8 kJ mol-1. In the experimental materials used by the author, we found Benzyl acrylate(cas: 2495-35-4Application In Synthesis of Benzyl acrylate)

Benzyl acrylate(cas: 2495-35-4) has been used in preparation of high refractive index polyacrylates. Benzyl acrylate is used in the preparation of heptanoic acid benzyl ester. It is used to prepare polybenzylacrylate using azobisisobutyronitrile as initiator.Application In Synthesis of Benzyl acrylate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Three-Component Reaction for the Synthesis of Highly Functionalized Propargyl Ethers》 was written by Pisella, Guillaume; Gagnebin, Alec; Waser, Jerome. Related Products of 609-14-3 And the article was included in Chemistry – A European Journal in 2020. The article conveys some information:

Copper-catalyzed three-component reaction of diazo compounds, alcs. and ethynyl benziodoxole (EBX) reagents for the synthesis of propargyl ethers was reported. Extensive variations of the three partners of the reaction was possible, led to highly functionalized and structurally diverse products under mild conditions. Alkynylation of a copper ylide intermediate was postulated as key step for this transformation. In the experiment, the researchers used Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Related Products of 609-14-3)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Related Products of 609-14-3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Comparing characteristic aroma components of bead-shaped green teas from different regions using headspace solid-phase microextraction and gas chromatography-mass spectrometry/olfactometry combined with chemometrics》 was published in European Food Research and Technology in 2020. These research results belong to Liu, Panpan; Zheng, Pengcheng; Gong, Ziming; Feng, Lin; Gao, Shiwei; Wang, Xueping; Teng, Jing; Zheng, Lin; Liu, Zhonghua. COA of Formula: C8H8O3 The article mentions the following:

Abstract: In this study, the aroma components of bead-shaped green teas were compared through headspace solid-phase microextraction (HS-SPME) and gas chromatog.-mass spectrometry/olfactometry (GC-MS/O) coupled with chemometrics. A total of 62 volatile compounds were identified in 16 green tea samples. Notably, comparison of GC-MS/O and odor activity values (OAV) results revealed that nonanal, decanal, (E)-2-nonenal, β-ionone, and 1-octen-3-one were the most powerful aroma-active compounds that contributed to the aroma profile of the bead-shaped green teas. Furthermore, multivariate statistical techniques (such as principal component anal., partial least squares-discriminant anal., and hierarchical cluster anal.) were used to characterize the bead-shaped green teas according to their geog. origin and the flavor characteristics of their volatile compounds Addnl., the variable importance in the projection method was used to identify 20 volatile markers that could successfully distinguish bead-shaped green teas on the basis of three flavor characteristics. The results of the anal. revealed that HS-SPME and GC-MS/O coupled with chemometrics can provide an effective method for characterizing and classifying bead-shaped green teas.Methyl Salicylate(cas: 119-36-8COA of Formula: C8H8O3) was used in this study.

Methyl Salicylate(cas: 119-36-8) has been used: as a component of clarifying solution for treating Mongolian gerbil cochlea intact for immunofluorescence analysis, as a plant elicitor to test its effect on reducing the whitefly population from tomato plants.COA of Formula: C8H8O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Design, synthesis, and biological evaluation of novel 4-phenoxypyridine derivatives as potential antitumor agents》 were Liu, Ju; Liu, Yutong; Hao, Xuechen; Wang, Yang; Ji, Jingchao; Liu, Yajing; Ding, Shi; Chen, Ye. And the article was published in Archiv der Pharmazie (Weinheim, Germany) in 2019. Synthetic Route of C7H12O3 The author mentioned the following in the article:

A series of novel 4-phenoxypyridine derivatives containing the 4-oxo-1,4-dihydropyridazine-3-carboxamide moiety were synthesized and evaluated for their in vitro cytotoxic activity against the A549 cancer cell line, and some compounds were further examined for their cytotoxic activity against the H460, BGC823, MKN45, and HT-29 cancer cell lines. Most of the compounds exhibited moderate to significant cytotoxicity. The most promising compound 15b (with VEGFR2 inhibitory concentration [IC50] value of 0.23 μM) showed remarkable cytotoxicity against A549, BGC-823, MKN45, H460, and HT-29 cells, with IC50 values of 0.75, 1.68, 2.63, 5.08 and 7.22 μM, resp. Their preliminary structure-activity relationship studies indicate that electron-withdrawing groups on the terminal Ph rings are beneficial for improving the antitumor activity. Moreover, treatment of A549 cells with compound 15b resulted in cell cycle arrest in the G0/G1 phase in a dose-dependent manner. Further apoptotic studies and acridine orange/ethidium bromide staining were also performed on A549 cells, which showed that compound 15b could induce apoptosis. Wound-healing assay results indicated that compound 15b strongly inhibited A549 cell motility. In addition to this study using Ethyl 3-oxopentanoate, there are many other studies that have used Ethyl 3-oxopentanoate(cas: 4949-44-4Synthetic Route of C7H12O3) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Synthetic Route of C7H12O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Ethynylbenziodazolones (EBZ) as Electrophilic Alkynylation Reagents for the Highly Enantioselective Copper-Catalyzed Oxyalkynylation of Diazo Compounds》 were Hari, Durga Prasad; Schouwey, Lionel; Barber, Verity; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Waser, Jerome. And the article was published in Chemistry – A European Journal in 2019. Computed Properties of C8H14O4 The author mentioned the following in the article:

The first synthesis was reported for the corresponding ethynylbenziodazolone (EBZ) reagents, in which the oxygen atom in the iodoheterocycle was replaced by a nitrogen atom. The substituent on the nitrogen enabled further fine-tuning of the reagent structure and reactivity. EBZ reagents were obtained easily from the corresponding benzamides by using a one-step procedure and displayed reactivity comparable to that of EBX reagents. In particular, they were applied in an asym. copper-catalyzed oxyalkynylation of diazo compounds, which proceeded in high yield and enantioselectivity for a broad range of substituents on the diazo compounds and the alkyne.Diethyl 2-methylmalonate(cas: 609-08-5Computed Properties of C8H14O4) was used in this study.

Diethyl 2-methylmalonate(cas: 609-08-5) belongs to aliphatic hydrocarbons. Aliphatic hydrocarbons belong to the most abundant fraction in crude oil. Aliphatics molecules are linear or branched open-chain structures such as n-alkanes, isoalkanes, cycloalkanes (naphthenes), terpenes and steranes.Computed Properties of C8H14O4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2017,Follmann, Markus; Ackerstaff, Jens; Redlich, Gorden; Wunder, Frank; Lang, Dieter; Kern, Armin; Fey, Peter; Griebenow, Nils; Kroh, Walter; Becker-Pelster, Eva-Maria; Kretschmer, Axel; Geiss, Volker; Li, Volkhart; Straub, Alexander; Mittendorf, Joachim; Jautelat, Rolf; Schirok, Hartmut; Schlemmer, Karl-Heinz; Lustig, Klemens; Gerisch, Michael; Knorr, Andreas; Tinel, Hanna; Mondritzki, Thomas; Truebel, Hubert; Sandner, Peter; Stasch, Johannes-Peter published 《Discovery of the Soluble Guanylate Cyclase Stimulator Vericiguat (BAY 1021189) for the Treatment of Chronic Heart Failure》.Journal of Medicinal Chemistry published the findings.Application of 16982-21-1 The information in the text is summarized as follows:

The first-in-class soluble guanylate cyclase (sGC) stimulator riociguat was recently introduced as a novel treatment option for pulmonary hypertension. Despite its outstanding pharmacol. profile, application of riociguat in other cardiovascular indications is limited by its short half-life, necessitating a three times daily dosing regimen. In our efforts to further optimize the compound class, we have uncovered interesting structure-activity relationships and were able to decrease oxidative metabolism significantly. These studies resulting in the discovery of once daily sGC stimulator vericiguat (compound 24, BAY 1021189), currently in phase 3 trials for chronic heart failure, are now reported. In the experimental materials used by the author, we found Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Application of 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Application of 16982-21-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics