Esters-buliding-blocks

Synthesis, in-vitro, in-vivo anti-inflammatory activities and molecular docking studies of acyl and salicylic acid hydrazide derivatives was written by Munir, Abida;Khushal, Adil;Saeed, Kiran;Sadiq, Abdul;Ullah, Rahim;Ali, Gowhar;Ashraf, Zaman;Ullah Mughal, Ehsan;Saeed Jan, Muhammad;Rashid, Umer;Hussain, Izhar;Mumtaz, Amara. And the article was included in Bioorganic Chemistry in 2020.Product Details of 81245-24-1 This article mentions the following:

To cure the inflammation effectively and associated with side effects ,1,3,4-oxadiazole II [R= 4-Me, 4-Me-2-MeO, n=0,1] , 1,2,4-triazole III [R= 4-Me, 4-Me-2-MeO, n=0,1] , Schiff base IV [R= F, Me,MeO… n=0,1; R’ = 2-HO-4-MeO, 2-HO, -4-F, 4-HO, etc.] and 3,5-disubstituted pyrazole V derivatives were synthesized starting from salicylic acid and acyl acid hydrazides I[R = 4-Me, 3-MeO, 4-Me-2-MeO, etc., n = 0,1] as COX-1 and COX-2 inhibitors. In-vivo anti-inflammatory activities were also tested by carrageenan-induced mice paw edema against albino mice of any sex. Structures of all the synthesized compounds were confirmed by FT-IR and ¹H NMR anal. Schiff base derivative of 4-aminotriazole (24) with IC₅₀ value of 1.76 ± 0.05 (COX-2) and 117.8 ± 2.59 emerged as potent COX-2 inhibitor. Furthermore, this also performed in-vivo anti-inflammatory investigations by using carrageenan induced paw edema test. From in-vivo anti-inflammatory activities, it was found that after 1 h the maximum percentage inhibition 15.8% was observed by compound I [R= 3-OMe, n=1] which was comparable with that of the standard drug followed by the compound III[R= 4-Me, n=1] with percentage inhibition of 10.5%. After 3 h, the maximum percentage inhibition was observed by compound III [R= 4-Me, n=1] with 22.2% and compound 14 with 16.7%. After 5 h the maximum percentage inhibition was observed by compound III [R= 4-Me, n=1] with 29.4% followed by compound 16 with 23.5%. The mechanism of the inhibition by using docking simulations was also explored. Docking studies revealed that the selective COX-2 inhibitors established interactions with addnl. COX-2 enzyme pocket residues. In the experiment, the researchers used many compounds, for example, Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1Product Details of 81245-24-1).

Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1) 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. 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.Product Details of 81245-24-1

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

Determination of phthalic acid esters and di(2-ethylhexyl) adipate in coffee obtained from capsules was written by Dominguez-Hernandez, Cristopher;Ortega-Zamora, Cecilia;Gonzalez-Salamo, Javier;Hernandez-Borges, Javier. And the article was included in Food Chemistry in 2022.Category: esters-buliding-blocks This article mentions the following:

In this work, the ammonium formate version of the QuEChERS method has been applied for the first time to the extraction of a group of nine phthalic acid esters and one adipate from three types of coffee (maximum intensity, intermediate intensity and decaffeinated) prepared from coffee capsules, using gas chromatog. coupled to mass spectrometry for analytes separation and determination Matrix-matched calibration showed good linearity with determination coefficients (R2) higher than 0.9983 for all analytes and matrixes. In general, matrix effect assessment revealed a medium effect of signal suppression, while mean relative recovery values were in the range 70-120% with relative standard deviation values ≤19% for most analytes. Several samples of each type of coffee obtained from capsules made of different materials were also analyzed, finding concentrations of DBP, DEHA and DEHP in the range 29.3-734 ng/capsule, below the tolerable daily intake established for some of them. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Category: esters-buliding-blocks).

Dicyclohexyl phthalate (cas: 84-61-7) 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. Category: esters-buliding-blocks

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

Chemical composition and acetylcholinesterase inhibition activity of volatile oil from leaves of Arbutus unedo L. from Croatia was written by Politeo, O.;Ercegovic, I.. And the article was included in Asian Journal of Chemistry in 2019.Reference of 118-61-6 This article mentions the following:

The volatile oil from leaves of Arbutus unedo L. from Croatia was subjected to chem. composition and acetylcholinesterase inhibition activity. The tested volatile oil was dominated by nonterpene compounds, with (E)-2-decenal, nonanal, nonanoic acid and octanol as main compounds Terpene compounds were identified in lower quantity, with linalool and α-terpineol as main ones. Results showed low to moderate acetylcholinesterase (AChE) inhibition potential of tested oil, for tested concentration of 1 mg/mL. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Reference of 118-61-6).

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

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

Design and synthesis of a peptide that binds specific DNA sequences through simultaneous interaction in the major and minor groove was written by Vazquez, M. Eugenio;Caamano, Ana M.;Martinez-Costas, Jose;Castedo, Luis;Mascarenas, Jose L.. And the article was included in Angewandte Chemie, International Edition in 2001.Formula: C7H8N2O4 This article mentions the following:

A peptide derivative capable of binding to DNA with nanomolar affinity through a bivalent, major-minor groove recognition motif, was synthesized. Distamycin A, a well known tripyrrole antibiotic that binds DNA preferentially at A-T rich sites, was used for the minor groove and the basic region of GCN4, a bZIP protein which binds specifically to the cAMP response element site, for the major groove. A suitable linking of a b-ZIP basic region to a minor groove binding tripyrrole enabled for specific binding to its cognate DNA site. The hybrid compound revealed significantly higher affinity for its designated target DNA sequence than that of its isolated components for their resp. cognate subsites. In the experiment, the researchers used many compounds, for example, Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7Formula: C7H8N2O4).

Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7) 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. 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.Formula: C7H8N2O4

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

An Efficient One-Pot Protocol for Direct Access to Diarylmethyl Thioglycosides with para-Quinone Methides via S -Glycosyl Isothiouronium Salts was written by Dubey, Atul;Mandal, Pintu Kumar. And the article was included in Synlett in 2020.Application of 4163-60-4 This article mentions the following:

An efficient one-pot protocol has been developed for the direct preparation of diarylmethyl thioglycosides starting from per-O-acetylated sugars via glycosyl isothiouronium salts. The one-pot reaction conditions involve rapid conversion of the per-O-acetylated sugar with thiourea in the presence of boron trifluoride etherate as catalyst to give the corresponding glycosyl isothiouronium salt, which is subsequently treated with a para-quinone methide in the presence of a base to give the a diarylmethyl thioglycoside in excellent yield. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Application of 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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 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. Application of 4163-60-4

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

S-Adamantyl Group Directed Site-Selective Acylation: Applications in Streamlined Assembly of Oligosaccharides was written by Blaszczyk, Stephanie A.;Xiao, Guozhi;Wen, Peng;Hao, Hua;Wu, Jessica;Wang, Bo;Carattino, Francisco;Li, Ziyuan;Glazier, Daniel A.;McCarty, Bethany J.;Liu, Peng;Tang, Weiping. And the article was included in Angewandte Chemie, International Edition in 2019.Product Details of 4163-60-4 This article mentions the following:

The site-selective functionalization of carbohydrates is an active area of research. Reported here is the surprising observation that the sterically encumbered adamantyl group directed site-selective acylation at the C2 position of S-glycosides through dispersion interactions between the adamantyl C-H bonds and the π system of the cationic acylated catalyst, which may have broad implications in many other chem. reactions. Because of their stability, chem. orthogonality, and ease of activation for glycosylation, the site-selective acylation of S-glycosides streamlines oligosaccharide synthesis and will have wide applications in complex carbohydrate synthesis. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Product Details of 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. 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. Product Details of 4163-60-4

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

Concise Stereoselective Synthesis of β-Hydroxy-γ-lactones: (4R,5R)-4-Hydroxy-γ-decalactone from the Japanese Orange Fly and Enantiomers of Arachnid Harvestmen Isolates was written by Gangani, Ashvin J.;Kumar, Praveen;Fernandes, Rodney A.. And the article was included in Journal of Natural Products in 2021.Quality Control of 5-Hexyldihydrofuran-2(3H)-one This article mentions the following:

The naturally occurring (4R,5R)-4-hydroxy-γ-decalactone from the Japanese orange fly and the antipode of (4S,5R)-4-hydroxy-γ-dodecalactone from the harvestmen arachnid and their stereoisomers are synthesized from the chiral pool material D-glucono-δ-lactone in a few steps. The one-pot conversion of the latter to γ-vinyl-β-hydroxy-γ-lactone, cross-metathesis with requisite olefin, and hydrogenation enabled the synthesis of syn-lactones in just a two-pot operation. An addnl. efficient Pd-catalyzed allylic isomerization of γ-vinyl-β-hydroxy-γ-lactone led to the anti-lactones in high yields. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Quality Control of 5-Hexyldihydrofuran-2(3H)-one).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. 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.Quality Control of 5-Hexyldihydrofuran-2(3H)-one

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

Probing α-Amino Aldehydes as Weakly Acidic Pronucleophiles: Direct Access to Quaternary α-Amino Aldehydes by an Enantioselective Michael Addition Catalyzed by Bronsted Bases was written by Garcia-Urricelqui, Ane;de Cozar, Abel;Mielgo, Antonia;Palomo, Claudio. And the article was included in Chemistry – A European Journal in 2021.COA of Formula: C16H24N2O4 This article mentions the following:

The chem. of α-amino aldehydes was expanded beyond their limits by documenting the first direct α-alkylation of α-branched α-amino aldehydes with nitroolefins. The reaction produced densely functionalized products bearing up to two, quaternary and tertiary, vicinal stereocenters with high diastereo- and enantioselectivity. DFT modeling lead to the proposal that intramol. hydrogen bonding between the NH group and the carbonyl oxygen atom in the starting α-amino aldehyde was key for reaction stereocontrol. 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: 87694-53-9COA of Formula: C16H24N2O4).

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

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

Synthesis of tetrasubstituted symmetrical pyrazines from β-keto γ-amino esters: A mild strategy for self-dimerization of peptides was written by Ganesh Kumar, Mothukuri;Thombare, Varsha J.;Bhaisare, Rupal D.;Adak, Anindita;Gopi, Hosahudya N.. And the article was included in European Journal of Organic Chemistry in 2015.Safety of (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate This article mentions the following:

A facile synthesis of highly sym. tetrasubstituted pyrazines through simple aerial oxidation of β-keto γ-amino esters is reported. The scope of the reaction was examined by use of various amino acid side-chain functional groups and peptides. The mild and efficient transformation of β-keto γ-amino esters into pyrazines may serve as an attractive strategy for self-dimerization of peptides. 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: 87694-53-9Safety of (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate).

(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. 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 (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate

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

Isosteric Substitution of 4H-1,2,4-Triazole by 1H-1,2,3-Triazole in Isophthalic Derivative Enabled Hydrogel Formation for Controlled Drug Delivery was written by Haering, Marleen;Rodriguez-Lopez, Julio;Grijalvo, Santiago;Tautz, Markus;Eritja, Ramon;Martin, Victor S.;Diaz Diaz, David. And the article was included in Molecular Pharmaceutics in 2018.Computed Properties of C12H10O4 This article mentions the following:

In this work, we demonstrated that the simple substitution of the 1,2,4-triazole moiety in 5-(4H-1,2,4-triazol-4-yl)isophthalic acid (5-TIA) by the 1H-1,2,3-triazol-5-yl unit enables the preparation of a hydrogelator (click-TIA). In sharp contrast to 5-TIA, its isostere click-TIA undergoes self-assembly in water upon sonication, leading to the formation of stable supramol. viscoelastic hydrogels with a critical gelation concentration of 6 g/L. Hydrogels made of click-TIA as well as hybrid hydrogels made of the mixture click-TIA + 5-TIA (molar ratio 1:0.2) were used to compare different properties of the materials (i.e., rheol. properties, thermal properties, mech. stability, morphol.). In terms of toxicity, neither click-TIA nor 5-TIA showed cytotoxic effects on cellular viability of HeLa cells up to 2.3 × 10^-3 g/L when compared to untreated cells incubated with DMSO. Furthermore, the hydrogels were used for the encapsulation and in vitro controlled release of oxytetracycline that followed first-order kinetics. For the hydrogel made of click-TIA, a maximum drug release of âˆ?0% was reached after âˆ? h within a pH range between 6.5 and 10. However, the release rate was reduced to approx. half of its value at pH values between 1.2 and 5.0, whereas the use of hybrid hydrogels made of click-TIA + 5-TIA allowed to reduce the original rate at pH â‰?6.5. In the experiment, the researchers used many compounds, for example, Dimethyl 5-ethynylisophthalate (cas: 313648-56-5Computed Properties of C12H10O4).

Dimethyl 5-ethynylisophthalate (cas: 313648-56-5) 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. 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.Computed Properties of C12H10O4

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