Author: Jessica.F

Rapid Discovery and Structure-Activity Profiling of Novel Inhibitors of Human Immunodeficiency Virus Type 1 Protease Enabled by the Copper(I)-Catalyzed Synthesis of 1,2,3-Triazoles and Their Further Functionalization was written by Whiting, Matthew;Tripp, Jonathan C.;Lin, Ying-Chuan;Lindstrom, William;Olson, Arthur J.;Elder, John H.;Sharpless, K. Barry;Fokin, Valery V.. And the article was included in Journal of Medicinal Chemistry in 2006.Formula: C16H24N2O4 This article mentions the following:

Building from the results of a computational screen of a range of triazole-containing compounds for binding efficiency to human immunodeficiency virus type 1 protease (HIV-1-Pr), a novel series of potent inhibitors has been developed. The copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC), which provides ready access to 1,4-disubstituted-1,2,3-triazoles, was used to unite a focused library of azide-containing fragments with a diverse array of functionalized alkyne-containing building blocks. In combination with direct screening of the crude reaction products, this method led to the rapid identification of a lead structure and readily enabled optimization of both azide and alkyne fragments. Replacement of the triazole with a range of alternative linkers led to greatly reduced protease inhibition; however, further functionalization of the triazoles at the 5-position gave a series of compounds with increased activity, exhibiting K_i values as low as 8 nM. In the experiment, the researchers used many compounds, for example, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9Formula: C16H24N2O4).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) 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.Formula: C16H24N2O4

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

Synthesis of Cross-Conjugated Polyenes via Palladium-Catalyzed Oxidative C-C Bond Forming Cascade Reactions of Allenes was written by Naidu, Veluru Ramesh;Baeckvall, Jan-E.. And the article was included in Journal of Organic Chemistry in 2020.Application of 17920-23-9 This article mentions the following:

An efficient palladium-catalyzed oxidative C-C bond forming cascade reaction of allenes involving a coupling between an enallene and an allenyne followed by a carbocyclization of the generated Pd-intermediate was developed. This cascade reaction afforded functionalized cross-conjugated polyenes. The enallene is initially activated by palladium and reacts with the allenyne to give the cross-conjugated polyenes. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Application of 17920-23-9).

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. 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 17920-23-9

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

Pregnane X Receptor Mediates Atherosclerosis Induced by Dicyclohexyl Phthalate in LDL Receptor-Deficient Mice was written by Liu, Jingwei;Hernandez, Rebecca;Li, Xiuchun;Meng, Zhaojie;Chen, Hong;Zhou, Changcheng. And the article was included in Cells in 2022.HPLC of Formula: 84-61-7 This article mentions the following:

Plastic-associated endocrine disrupting chems. (EDCs) have been implicated in the etiol. of cardiovascular disease (CVD) in humans, but the underlying mechanisms remain elusive. Dicyclohexyl phthalate (DCHP) is a widely used phthalate plasticizer; whether and how exposure to DCHP elicits adverse effects in vivo is mostly unknown. We previously reported that DCHP is a potent ligand of the pregnane X receptor (PXR) which acts as a xenobiotic sensor to regulate xenobiotic metabolism PXR also functions in macrophages to regulate atherosclerosis development in animal models. In the current study, LDL receptor-deficient mice with myeloid-specific PXR deficiency (PXRΔMyeLDLR-/-) and their control littermates (PXRF/FLDLR-/-) were used to determine the impact of DCHP exposure on macrophage function and atherosclerosis. Chronic exposure to DCHP significantly increased atherosclerotic lesion area in the aortic root and brachiocephalic artery of PXRF/FLDLR-/- mice by 65% and 77%, resp. By contrast, DCHP did not affect atherosclerosis development in PXRΔMyeLDLR-/- mice. Exposure to DCHP led to elevated expression of the scavenger receptor CD36 in macrophages and increased macrophage form cell formation in PXRF/FLDLR-/- mice. Our findings provide potential mechanisms underlying phthalate-associated CVD risk and will ultimately stimulate further investigations and mitigation of the adverse effects of plastic-associated EDCs on CVD risk in humans. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7HPLC of Formula: 84-61-7).

Dicyclohexyl phthalate (cas: 84-61-7) 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: 84-61-7

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

Post-storage changes of volatile compounds in air- and sun-dried raisins with different packaging materials using HS-SPME with GC/MS was written by Javed, Hafiz Umer;Wang, Dong;Wu, Guang-Feng;Kaleem, Qari Muhammad;Duan, Chang-Qing;Shi, Ying. And the article was included in Food Research International in 2019.Formula: C9H10O3 This article mentions the following:

Free- and bound-form volatiles in sun-dried raisins (SDRs) and air-dried raisins (ADRs) of ‘Thompson Seedless’ were analyzed by gas chromatog.-mass spectrometry (GC/MS) for 0, 3, 6, 9 and 12 mo of storage. The compounds originating from glycosidically bound (GB) volatiles were significantly more abundant in bound-form than their free-form. A total of 89 and 88 free-form compounds were identified in ADRs and SDRs, resp. Overall, higher concentration of unsaturated fatty-acid-oxidation (UFAO) and Maillard reaction (MR) compounds were observed in the SDRs. The plastic and woven bags have an insignificant effect on the volatiles in the raisins. The main characteristics of ADR aroma were floral and fruity, while fatty, roasted, and chem. aromas were prominent in SDRs. With the exception of chem. aroma, the aromatic series (fruity, floral, herbaceous and roasted) increased during the storage duration and become more compelling in 12 mo. The packaging materials have similar effect on aromatic series, except fruity note, which was higher in woven bag. The main floral and fruity aroma contributors were decanal, β-ionone, Et hexanoate, β-damascenone, and 1-octen-3-ol. Herein we identified UFAO and MR compounds as the main contributors of raisin aromas. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Formula: C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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. 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.Formula: C9H10O3

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

Floral volatile components and its release amount in different flowering stage of Xanthoceras sorbifolium Bunge was written by Hu, Yang;Li, Gangtie;Wang, Qianyu;Zhang, Ling;Li, Shanshan;Wang, Liangsheng;Wu, Zhiyan. And the article was included in Dongbei Linye Daxue Xuebao in 2021.Category: esters-buliding-blocks This article mentions the following:

The petals Xanthoceras sorbifolium bunge with white flower type without fragrance (W-N-1), white flower type with fragrance (W-Y-1, W-Y-2), safflower flower type without fragrance (R-N-1) and safflower flower type with fragrance (R-Y-1) were selected as test materials. Volatiles of the above materials were qual. and quant. detected with 3-octanol as an internal standard by HS-SPME-GC-MS. A total of 42 compounds were identified, and they were divided into 7 categories including 16 terpenoids, 9 alcs., 7 esters, 5 aldehydes, 3 alkanes, 1 ketones and 1 N-containing compounds The composition of aroma components and their relative contents of different types of X. sorbifolium at different flowering stages are quite different. The composition of aroma components of white flower type is richer than that of red flower type. The difference between scented and unscented X. sorbifolium is mainly the presence and absence of linalool. On the whole, alc. and terpene are the key components of flower fragrance, and the main component is linalool. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Category: esters-buliding-blocks).

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. 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.Category: esters-buliding-blocks

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

Tin(II) chloride assisted synthesis of N-protected γ-amino β-keto esters through semipinacol rearrangement was written by Bandyopadhyay, Anupam;Agrawal, Neha;Mali, Sachitanand M.;Jadhav, Sandip V.;Gopi, Hosahudya N.. And the article was included in Organic & Biomolecular Chemistry in 2010.Related Products of 87694-53-9 This article mentions the following:

A facile synthetic route for the preparation of N-protected γ-amino β-keto esters from amino aldehydes and Et diazoacetate is described. The two component coupling is facilitated by tin(II) chloride followed by semipinacol rearrangement leading to the product in quant. yield. The reaction is mild, instantaneous and compatible with Boc-, Fmoc- and Cbz-amino protecting groups. In the experiment, the researchers used many compounds, for example, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9Related Products of 87694-53-9).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) 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. 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. Related Products of 87694-53-9

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

3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen Mustards was written by Kapou, Agnes;Benetis, Nikolas-P.;Durdagi, Serdar;Nikolaropoulos, Sotiris;Mavromoustakos, Thomas. And the article was included in Journal of Chemical Information and Modeling in 2008.Computed Properties of C10H13NO2 This article mentions the following:

Thirty-eight antileukemic steroidal esters possessing conformationally flexible nitrogen mustards were studied, and the 3D QSAR/CoMFA and CoMSIA methodologies were applied in order to derive the correlation between their structure and the in vivo antileukemic activity. These compounds show significantly reduced toxicity and possibly increased bioavailability compared to free nitrogen mustards and therefore constitute potent antileukemic drugs. Both the CoMFA and CoMSIA studies gave similar results indicating that the steric effect and the hydrophobic/hydrophilic balance especially in the steroidal part of the mols. probably determined their bioactivity. Of paramount interest is the observation that the orientation of the alkylating part of the SMEs toward the surface of ring B of the steroidal skeleton was related with increased activity. Concerning the steroidal part, the presence of hydrophobic groups in rings B and D was found to be important for enhanced activity. Enhancement of antileukemic potency is further observed if hydrophilic/H-bond acceptor groups are present at the positions 7 and 17 of the steroidal skeleton. Leapfrog simulations provided novel compounds which lead our future synthetic endeavor for obtaining SMEs with optimum bioactivity. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Computed Properties of C10H13NO2).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) 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. 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.Computed Properties of C10H13NO2

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

Syntheses and reactions of thiacyclanone-1,1-dioxides with diazoalkanes was written by Eistert, Bernd;Kueffner, Peter;Arackal, Thommen J.. And the article was included in Chemische Berichte in 1977.Category: esters-buliding-blocks This article mentions the following:

Thiacyclanone oxides I (m = 1, n = 1-5; m = n = 2, 3; m = 2, n = 3) reacted with RCH:N2 (R = H, Me) to give enol ethers II (R = H, Me, n = 1-5), epoxides III (R = H, Me, m = 1, n = 3; R = H: m = n = 2, 3; m = 2, n = 3), β-oxo sulfones IV (R = H, n = 3, 4; R = Me, n = 5) and ring-enlarged oxo sulfones V (R = Me: m = 1, n = 3, 4; m = n = 2; m = 2, n = 3; m = 3, n = 1, 2; R = H, m = n = 3), and VI, depending on the size of the ring and the positions of the CO and SO2 relative to each other. The enol ethers were easily hydrolyzed with mineral acids to form β-oxo sulfones I (m = 1, n = 1-5). In the presence of Lewis acids, N2:CHCO2Et gave II (R = CO2Et, n = 1, 2) and ring enlarged oxo esters V (R = CO2Et: m = 1, n = 1-5; m = 2, 3, n = 3; m = 3, 4, n = 1; m = 3, n =2). Only the γ-oxo sulfone I (m = n = 2) reacted with N2:CHCO2Et to give V (R = CO2Et, m = n = 2) as well as glycidic ester III (R = CO2Et, m = n = 2). The β-oxo esters were hydrolyzed and decarboxylated to give good yields of the oxo sulfones. In the ring expansion of oxo sulfones with RCH:N2 (R = Me, CO2Et), the diazo compound was preferably inserted between C-3 and C-4. In the experiment, the researchers used many compounds, for example, Methyl 2-(methylsulfonyl)acetate (cas: 62020-09-1Category: esters-buliding-blocks).

Methyl 2-(methylsulfonyl)acetate (cas: 62020-09-1) 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. 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.Category: esters-buliding-blocks

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

A comparative study of the application-based properties of hot melt adhesives (HMAs) formulated with different waxes was written by Robertson, Divann;van Reenen, Albert;Duveskog, Heidi;Brady, Fran. And the article was included in International Journal of Adhesion and Adhesives in 2021.Application In Synthesis of 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) This article mentions the following:

In this study, three chem. similar but morphol. different high melting hydrocarbon waxes having similar DSC peak melting temperatures were analyzed, and the influence of their mol. architectures on hot melt adhesive (HMA) performance, was evaluated. Selected waxes included each of the following types: Fischer Tropsch wax (FT), byproduct polyethylene wax (BPPE) and first intention polyethylene wax (FIPE). Both, ethylene-co-vinyl acetate (EVA) and metallocene catalyzed polyethylene (mPE) based HMAs were formulated. The high chain linearity of FT wax resulted in faster crystallization and faster adhesive set times as well as higher peel adhesion, shear adhesion and IOPP heat resistance temperatures Wax viscosities were in direct correlation with resultant HMA viscosities. EVA HMAs had longer set times and were more prone to thermal degradation upon prolonged exposure to elevated temperatures and was most pronounced for FIPE wax. Average traction force was dependent on the open time and wax/polymer combination with FT showing a smaller open time window for both EVA and mPE based HMAs. In the experiment, the researchers used many compounds, for example, 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8Application In Synthesis of 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)).

2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8) 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. 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.Application In Synthesis of 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)

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

Synthesis of substituted indole-3-carboxylates by iron(II)-catalyzed domino isomerization of 3-alkyl/aryl-4-aryl-5-methoxyisoxazoles was written by Bodunov, Vladimir A.;Galenko, Ekaterina E.;Galenko, Alexey V.;Novikov, Mikhail S.;Khlebnikov, Alexander F.. And the article was included in Synthesis in 2018.Category: esters-buliding-blocks This article mentions the following:

The iron(II)-catalyzed domino isomerization of 3-alkyl/aryl-4-arylisoxazoles provided a selective access to a wide range of structurally diverse highly substituted indole-3-carboxylates such as I [R = H, 6-Me, 4-MeO, etc.; R¹ = Me, 4-ClC₆H₄, 2-naphthyl, etc.; R² = Me, pyrrolidin-1-yl]. The operational simplicity, high atom efficiency and the use of stable starting materials and an inexpensive and low-toxicity catalyst were some of the attractive features of this tandem double ring-opening-ring-closure strategy. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Category: esters-buliding-blocks).

Methyl 2-thienylacetate (cas: 19432-68-9) 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. 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.Category: esters-buliding-blocks

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