Month: January 2023

Novel Cambinol Analogs as Sirtuin Inhibitors: Synthesis, Biological Evaluation, and Rationalization of Activity was written by Medda, Federico;Russell, Rupert J. M.;Higgins, Maureen;McCarthy, Anna R.;Campbell, Johanna;Slawin, Alexandra M. Z.;Lane, David P.;Lain, Sonia;Westwood, Nicholas J.. And the article was included in Journal of Medicinal Chemistry in 2009.SDS of cas: 33166-79-9 This article mentions the following:

The tenovins and cambinol are two classes of sirtuin inhibitor that exhibit antitumor activity in preclin. models. This report describes modifications to the core structure of cambinol, in particular by incorporation of substituents at the N1-position, which lead to increased potency and modified selectivity. These improvements have been rationalized using mol. modeling techniques. The expected functional selectivity in cells was also observed for both a SIRT1 and a SIRT2 selective analog. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9SDS of cas: 33166-79-9).

Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9) belongs to esters. 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.SDS of cas: 33166-79-9

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

Visible-Light-Promoted Metal-Free Synthesis of (Hetero)Aromatic Nitriles from C(sp³)-H Bonds was written by Murugesan, Kathiravan;Donabauer, Karsten;Koenig, Burkhard. And the article was included in Angewandte Chemie, International Edition in 2021.Computed Properties of C10H12O3 This article mentions the following:

The metal-free activation of C(sp³)-H bonds to value-added products is of paramount importance in organic synthesis. We report the use of the com. available organic dye 2,4,6-triphenylpyrylium tetrafluoroborate (TPP) for the conversion of methylarenes to the corresponding aryl nitriles via a photocatalytic process. Applying this methodol., a variety of cyanobenzenes have been synthesized in good to excellent yield under metal- and cyanide-free conditions. We demonstrate the scope of the method with over 50 examples including late-stage functionalization of drug mols. (celecoxib) and complex structures such as L-menthol, amino acids, and cholesterol derivatives Furthermore, the presented synthetic protocol is applicable for gram-scale reactions. In addition to methylarenes, selected examples for the cyanation of aldehydes, alcs. and oximes are demonstrated as well. Detailed mechanistic investigations have been carried out using time-resolved luminescence quenching studies, control experiments, and NMR spectroscopy as well as kinetic studies, all supporting the proposed catalytic cycle. In the experiment, the researchers used many compounds, for example, Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1Computed Properties of C10H12O3).

Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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 C10H12O3

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

Analysis of the key aroma volatile compounds in rice bran during storage and processing via HS-SPME GC/MS was written by Gao, Chen;Li, Yan;Pan, Qifeng;Fan, Mingcong;Wang, Li;Qian, Haifeng. And the article was included in Journal of Cereal Science in 2021.HPLC of Formula: 695-06-7 This article mentions the following:

Rice bran is one of the most valuable nutritional byproducts of rice milling. It is known to have an unacceptable flavor to consumers, so the development of reliable anal. methods to determine its unpleasant volatile compounds should be developed. Comparative volatile profiling of rice bran at different times of accelerated storage was performed using solid-phase microextraction (SPME) coupled to GC/MS, and the impact of stabilizing methods on the odor of rice bran was evaluated using E-nose, GC/MS and gas chromatog.-olfactometry (GC-O) analyses. Sixty-five volatile compounds were identified and classified into six groups. Among them, the relative concentration of aldehydes increased with storage time, and hexanal was the compound with the highest content. Similar behavior was exhibited by ketones and alcs., which were connected with early oxidation of rice bran. The main characteristic odor compounds of rice bran were vanillin, 2-methoxy-4-vinylphenol and 5-amino-2-methoxyphenol regarding ferulic acid. Through PCA, the volatile compounds of six kinds of rice bran were distinguished. The GC-O experiment verified that the processed products changed from the original grassy, oily flavor to vanilla, cheese, and caramel flavors. These results comprehensively elucidate the flavor characteristics of rice bran and provide important theor. support for the development of rice bran products. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7HPLC of Formula: 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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.HPLC of Formula: 695-06-7

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

Reaction Discovery Using Neopentylene-Tethered Coupling Partners: Cycloisomerization/Oxidation of Electron-Deficient Dienynes was written by Kramer, Nicholas J.;Hoang, Tung T.;Dudley, Gregory B.. And the article was included in Organic Letters in 2017.Electric Literature of C10H14O4 This article mentions the following:

A rhodium-catalyzed cycloisomerization and oxidation of tethered dienynes for the synthesis of indans, e.g. I, is described. An auxiliary fragmentation/olefination method (also described herein) provides novel access to tethered alkyne-dienoate substrates. The reported method circumvents current limitations in and expands the scope of inverse-demand Diels-Alder-type cycloadditions Traditional discovery substrates involving malonate-, ether- and sulfonamide-based tethers are problematic in the current methodol., underscoring the unique virtue of neopentylene-tethered substrates for reaction discovery. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Electric Literature of C10H14O4).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. 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.Electric Literature of C10H14O4

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

Synthesis of 3-C-Branched Kdo Analogues via Sonogashira Coupling of 3-Iodo Kdo Glycal with Terminal Alkynes was written by Fan, Wenjing;Chen, Yan;Lou, Qixin;Zhuang, Liqin;Yang, You. And the article was included in Journal of Organic Chemistry in 2018.COA of Formula: C10H14O4 This article mentions the following:

A highly efficient approach for the synthesis of 3-C-branched mono- and di-3-deoxy-D-manno-oct-2-ulosonic acid (Kdo) enyne analogs is developed for the first time based on Sonogashira coupling of terminal alkynes with 3-iodo Kdo glycal obtained by the NIS/TMSOTf-promoted one-step reaction from peracetylated Kdo Et ester. Further transformation of 3-C-branched mono- and di-Kdo enyne analogs by asym. hydrogenation and saponification provided 2-deoxy-β-carboxyl Kdo analogs in a stereocontrolled mode. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9COA of Formula: C10H14O4).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. 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. 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.COA of Formula: C10H14O4

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

A One-Pot Copper(II)-Catalyzed Tandem Synthesis of 2-Substituted Pyrrolo[1,2-b]pyridazin-4(1H)-ones was written by Tan, Cun;Xiang, Haoyue;He, Qian;Yang, Chunhao. And the article was included in European Journal of Organic Chemistry in 2015.Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate This article mentions the following:

A one-pot copper(II)-catalyzed tandem synthesis of 2-substituted pyrrolo[1,2-b]pyridazin-4(1H)-ones, e.g., I, II, and III, from N-aminopyrroles was developed. This tandem reaction involves a Conrad-Limpach-type reaction, including the thermal condensation of N-aminopyrroles with the carbonyl group of β-oxo esters, followed by the cyclization of Schiff base intermediates. Compared to the traditional Conrad-Limpach quinoline synthesis, the authors applied the successful application of copper(II) as a catalyst in this transformation to furnish 2-substituted pyrrolo[1,2-b]pyridazin-4(1H)-ones for the first time. Most of the substrates bearing electron-donating (EDG) and electron-withdrawing (EWG) groups worked well with this procedure. The corresponding products could be converted directly into diverse pyrrolo[1,2-b]pyridazines for drug discovery and materials science. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) belongs to esters. 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. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate

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

Axially chiral amino acid scaffolds as efficient fluorescent discriminators of methanol-ethanol was written by Bag, Subhendu Sekhar;Jana, Subhashis. And the article was included in New Journal of Chemistry in 2017.Recommanded Product: tert-Butyl (3-ethynylphenyl)carbamate This article mentions the following:

The authors report a unique fluorescence sensor based on an axially chiral unnatural triazolyl aromatic amino acid scaffold (^ArTAA) for discrimination of methanol from ethanol via a switch on fluorescence response. All three sensors, the simple scaffold (^ArTAA), and the mono- (PyAm-^ArTAA) and bis-pyrenyl- (Py₂Am-^ArTAA) amides, show similar sensitivity and detection limit ranging from 0.5-2.1 volume/volume% of ethanol. The solid films of these sensors also are effective in sensing ethanol vapor via generation of a distinct and enhanced fluorescence signal. All the authors’ exptl. results suggest the role of axial chirality of the hairpin-shaped scaffold in differential solvation guided H-bonding interaction and discriminating between ethanol and methanol with a switch-on fluorescence response. In the experiment, the researchers used many compounds, for example, tert-Butyl (3-ethynylphenyl)carbamate (cas: 185619-66-3Recommanded Product: tert-Butyl (3-ethynylphenyl)carbamate).

tert-Butyl (3-ethynylphenyl)carbamate (cas: 185619-66-3) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. 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: tert-Butyl (3-ethynylphenyl)carbamate

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

Luminescence and Configurations of Perylene Dimers in a Langmuir-Blodgett Film was written by Mahrt, J.;Willig, F.;Storck, W.;Weiss, D.;Kietzmann, R.;Schwarzburg, K.;Tufts, B.;Troesken, B.. And the article was included in Journal of Physical Chemistry in 1994.Quality Control of 12-Methoxy-12-oxododecanoic acid This article mentions the following:

Luminescence and excitation spectra of a Langmuir-Blodgett multilayer with a high concentration of densely packed perylene chromophores are measured at 2 K. They are compared with corresponding spectra of the dimeric α-perylene crystal and of perylene dimers formed in a glass. The majority of the perylene chromophores are arrested in the Langmuir-Blodgett film in the form of open metastable dimer configurations with monomer-like spectra. They dominate the absorption spectrum and excitation spectrum of luminescence. From these open dimers the excitation energy is rapidly transferred to the lower excited state of a stable dimer species functioning as a trap. Luminescence from this excited g-state leads to the peak at 550 nm in the luminescence spectrum. A second peak at 630 nm and the red side of the luminescence spectrum are due to E-excimer luminescence. The wide spectral range of the luminescence, extending from below 500 nm up to 800 nm, reflects sub-angstrom differences in the configurations of the dimers. In the experiment, the researchers used many compounds, for example, 12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0Quality Control of 12-Methoxy-12-oxododecanoic acid).

12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0) belongs to esters. 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. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Quality Control of 12-Methoxy-12-oxododecanoic acid

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

Aromatic Profiles and Enantiomeric Distributions of Chiral Volatile Compounds in Pu-Erh Tea was written by Zhu, JianCai;Niu, YunWei;Xiao, ZuoBing. And the article was included in Journal of Agricultural and Food Chemistry in 2022.Electric Literature of C9H10O3 This article mentions the following:

Pu-Erh tea, as a typical post-fermented tea, can be divided into raw Pu-Erh tea (RAPT) and ripened Pu-Erh tea (RIPT) according to the processing technol. It is famous for its unique aroma after aging. Although previous research on the aroma characteristics of Pu-Erh tea mostly focused on the aroma compounds, little research on chiral compounds in RAPT and RIPT has been performed. Therefore, the current work aims to explore the aroma characteristics of Pu-Erh tea from the perspective of enantiomers of chiral compounds A total of 15 enantiomers were determined in this study, among which (R)-(-)-2,2,6-trimethylcyclohexanone, (R)-(-)-linalool, (S)-(+)-linalool, (R)-(+)-δ-octanolactone, (R)-(+)-γ-nonanolactone, (2R,5R)-(+)-theaspirone A, and (R)-(-)-dihydroactinidiolide were identified as enantiomeric compounds that play an important role in the aroma of RAPT and RIPT. Furthermore, (2S,5R)-trans-linalool oxide and (R)-(+)-α-terpineol were important contributors to the aroma profile of RAPT, while (S)-(+)-2-methylbutanal, (S)-(-)-limonene, S-(-)-α-terpineol, and (1R,2R)-(-)-Me jasmonate contributed to the characteristic aroma of RIPT. The addition of these enantiomeric compounds brings the aroma closer to that of the original tea sample. In addition, the anal. of chiral enantiomers of linalool, limonene, theaspirone A, and γ-nonanolactone can provide guidance for the quality and flavor control of Pu-Erh tea aroma. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Electric Literature of C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. 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. 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.Electric Literature of C9H10O3

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

Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes was written by Bordenave, Thomas;Helle, Marion;Beau, Fabrice;Georgiadis, Dimitris;Tepshi, Livia;Bernes, Mylene;Ye, Yunpeng;Levenez, Laure;Poquet, Enora;Nozach, Herve;Razavian, Mahmoud;Toczek, Jakub;Stura, Enrico A.;Dive, Vincent;Sadeghi, Mehran M.;Devel, Laurent. And the article was included in Bioconjugate Chemistry in 2016.HPLC of Formula: 17920-23-9 This article mentions the following:

In designing new tracers consisting of a small peptide conjugated to a reporter of comparable size, particular attention needs to be paid to the selection of the reporter group, which can dictate both the in vitro and the in vivo performances of the whole conjugate. In the case of fluorescent tracers, this is particularly true given the large numbers of available dye moieties differing in their structures and properties. Here, the authors have studied the in vitro and in vivo properties of a novel series of MMP-12 selective probes composed of cyanine dyes varying in their structure, net charge, and hydrophilic character, tethered through a linker to a potent and specific MMP-12 phosphinic pseudopeptide inhibitor. The impact of linker length has been also explored. The crystallog. structure of one tracer in complex with MMP-12 has been obtained, providing the first crystal structure of a Cy5.5-derived probe and confirming that the binding of the targeting moiety is unaffected. MMP-12 remains the tracers’ privileged target, as attested by their affinity selectivity profile evaluated in solution toward a panel of 12 metalloproteases. In vivo assessment of four selected probes has highlighted not only the impact of the dye structure but also that of the linker length on the probes’ blood clearance rates and their biodistributions. These experiments also provided valuable data on the stability of the dye moieties in vivo. This has permitted the identification of one probe, which combines favorable binding to MMP-12 in solution and on cells with optimized in vivo performance including blood clearance rate suitable for short-time imaging. Through this series of tracers, the authors have identified various critical factors modulating the tracers’ in vivo behavior, which is both useful for the development and optimization of MMP-12 selective radiolabeled tracers and informative for the design of fluorescent probes in general. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9HPLC of Formula: 17920-23-9).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. 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. 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.HPLC of Formula: 17920-23-9

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