Month: February 2023

Diffusion modeling of percutaneous absorption kinetics. Predicting urinary excretion from in vitro skin permeation tests (IVPT) for an infinite dose was written by Liu, Xin;Yousef, Shereen;Anissimov, Yuri G.;van der Hoek, John;Tsakalozou, Eleftheria;Ni, Zhanglin;Grice, Jeffrey E.;Roberts, Michael S.. And the article was included in European Journal of Pharmaceutics and Biopharmaceutics in 2020.HPLC of Formula: 118-61-6 This article mentions the following:

In this work, we developed a number of generalised skin diffusion based pharmacokinetic models to relate published in vivo urinary excretion data to matching exptl. generated in vitro human skin permeation test (IVPT) data for a series of topically applied salicylate esters. A simplified linear in vivo model was found to inadequately describe the time course of urinary excretion over the entire sampling period. We represented the skin barrier as both a one layer (stratum corneum) and a two-layer (stratum corneum with viable epidermis) diffusion model and convoluted their Laplace solutions with that for a single exponential disposition phase to describe the urinary excretion profiles in the Laplace domain. We also derived asymptotic approximations for the model and estimated the conditions under which they could be used. We then sought to develop in vitro – in vivo relationships (IVIVR) for topically applied Me, Et and glycol salicylates using our exptl. IVPT data and the literature urinary excretion data. Good linear IVIVRs for Et and glycol salicylates were obtained, but the IVIVR for Me salicylate was poor, perhaps because of topical stimulation of local skin blood flow by Me salicylate. The ratio of the hydrated to dehydrated skin permeation for all salicylate esters was the same in both the IVPT and in vivo studies. A diffusion based one compartment pharmacokinetic model was also developed to describe the urinary excretion of solutes after removal of topical products and to compare the Me salicylate skin permeation for five different body sites. The work presented here is consistent with the development of skin IVIVRs, but suggests that different skin conditions, application sites and local skin effects may affect model predictions. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6HPLC of Formula: 118-61-6).

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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.HPLC of Formula: 118-61-6

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

Rapid identification of fatty acids from Leptadenia reticulata areal parts by GC-MS was written by Dhalani, Jayesh;Parmar, Rahul;Rajpara, Raj;Nariya, Pankajkumar. And the article was included in Journal of Scientific & Industrial Research in 2020.Category: esters-buliding-blocks This article mentions the following:

The investigation was carried out to identify the various fatty acids present in the areal parts of Leptadenia reticulata, one of the important medicinal plants of India. Non-polar (Petroleum Ether) extract of areal parts was used for this study. Saponification was carried out using dried extract to obtain fatty acids. Further esterification of saponifiable fraction was performed to obtain fatty acid Me ester. Extracted fatty acid Me esters were analyzed by gas chromatog. and mass spectrometry (GC-MS) technique using NIST library. From GC-MS anal., 14 components were identified in areal parts of Leptadenia reticulata. This study reveals that L. reticulata is a good source of fatty acids with medicinal properties. This methodol. has the advantage of excellent identification of Non polar moiety of medicinal plant. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Category: esters-buliding-blocks).

Dimethyl decanedioate (cas: 106-79-6) 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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Category: esters-buliding-blocks

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

Preparation of Orthogonal 锜?Conjugated Aryl Alkynes and Cyclophanes was written by Crisp, G. T.;Turner, P. D.. And the article was included in Tetrahedron in 2000.Application of 313648-56-5 This article mentions the following:

A series of anthracene based orthogonal 锜?conjugated aryl alkynes was prepared using palladium-catalyzed couplings. Thia- and azacyclophanes were prepared from anthracene based orthogonal 锜?conjugated aryl alkynes. In the experiment, the researchers used many compounds, for example, Dimethyl 5-ethynylisophthalate (cas: 313648-56-5Application of 313648-56-5).

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

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

Using dilatometry in the reversible addition fragmentation transfer polymerization of N-(S)-(-)-浼?methylbenzyl methacryloylamine was written by Soriano-Moro, J. Guillermo;Percino, M. Judith;Chapela, Victor M.;Guerrero-Santos, Ramiro. And the article was included in Journal of Polymer Research in 2011.Recommanded Product: Benzyl benzodithioate This article mentions the following:

Optically active polymers were prepared using reversible addition-fragmentation chain transfer polymerization (RAFT) of N-(S)-浼?methylbenzylmethacryloylamine (N-(S)-浼?MBMA), a functional optically active monomer. RAFT polymerizations were carried out at 70 鎺矯 in ethanol using AIBN as a thermal initiator and benzyl or (1-phenyl)ethyl dithiobenzoate (BDB and PEDB, resp.) as the RAFT agents. The kinetic study was performed by dilatometry. Plots of conversion vs time indicated that the polymerizations followed first order kinetics. ¹H NMR, IR, and UV-vis spectrophotometric studies confirmed the presence of thiocarbonylthio moieties (-SCS-) in the polymer chains. The mol. weight distributions (MWDs) were moderately narrow with polydispersity indexes between 1.3 and 1.6, which indicated that the control of the reaction was not completely achievement using BDB or PEDB as RAFT agents. The optical activity [浼猐 measurements of synthesized polymers by RAFT did not show a noticeably linear increase dependence with respect to mol. weight, as was previously reported for another controlled free radical polymerization (CRP) system. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Recommanded Product: Benzyl benzodithioate).

Benzyl benzodithioate (cas: 27249-90-7) 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. 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.Recommanded Product: Benzyl benzodithioate

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

2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists was written by Kang, Jin Mi;Kwon, Sun Ok;Ann, Jihyae;Lee, Sunho;Kim, Changhoon;Do, Nayeon;Jeong, Jin Ju;Blumberg, Peter M.;Ha, Heejin;Vu, Thi Ngoc Lan;Yoon, Sanghee;Choi, Sun;Frank-Foltyn, Robert;Lesch, Bernhard;Bahrenberg, Gregor;Stockhausen, Hannelore;Christoph, Thomas;Lee, Jeewoo. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2021.Name: Ethyl 2-fluorophenylacetate This article mentions the following:

A series consisting of 117 2-(halogenated phenyl) acetamide and propanamide analogs were investigated as TRPV1 antagonists. The structure-activity anal. targeting their three pharmacophoric regions indicated that halogenated Ph A-region analogs exhibited a broad functional profile ranging from agonism to antagonism. Among the compounds, antagonists I and II exhibited potent antagonism toward capsaicin for hTRPV1 with K_i[CAP] = 2.6 and 6.9 nM, resp. Further, antagonist II displayed promising analgesic activity in vivo in both phases of the formalin mouse pain model. A mol. modeling study of II indicated that the two fluoro groups in the A-region made hydrophobic interactions with the receptor. In the experiment, the researchers used many compounds, for example, Ethyl 2-fluorophenylacetate (cas: 584-74-7Name: Ethyl 2-fluorophenylacetate).

Ethyl 2-fluorophenylacetate (cas: 584-74-7) 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. 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.Name: Ethyl 2-fluorophenylacetate

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

Synthesis of asymmetric indolonaphthyridines with enhanced excited state charge-transfer character was written by Purdy, Michael;Fallon, Kealan;Congrave, Daniel G.;Toolan, Daniel T. W.;Zeng, Weixuan;Bronstein, Hugo. And the article was included in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices in 2022.Name: Methyl 2-thienylacetate This article mentions the following:

Here, a new class of asym. indolonaphthyridines IND derivatives I [R = H, CO₂Et] was synthesized using novel high yielding methodol. The absorption properties and excited state charge-transfer character of the novel asym. INDs I with sym. IND II were compared. The IND asymmetry increased the change in dipole moment from ground to excited state. By determining the magnitude of the excited state dipole moment of each IND derivative, it showed asymmetry increased excited state charge-transfer character. Quantum calculations indicated that was a consequence of increased spatial separation between excited state electron and hole wavefunctions for the asym. INDs. Charge-transfer features could significantly benefit many optoelectronic processes, therefore the structure-property relationships introduced in this work provided invaluable design principles for the generation of high performance materials. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Name: Methyl 2-thienylacetate).

Methyl 2-thienylacetate (cas: 19432-68-9) 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.Name: Methyl 2-thienylacetate

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

Bio-based synthesis of cyclopentane-1,3-diamine and its application in bifunctional monomers for poly-condensation was written by van Slagmaat, Christian A. M. R.;Noordijk, Jurrie;Monsegue, Luciano G.;Mogensen, Siri;Hadavi, Darya;Han, Peiliang;Quaedflieg, Peter J. L. M.;Verzijl, Gerard K. M.;Alsters, Paul L.;De Wildeman, Stefaan M. A.. And the article was included in Green Chemistry in 2021.Computed Properties of C10H18O2 This article mentions the following:

A novel and green route for the synthesis of cyclopentane-1,3-diamine (CPDA) from hemicellulosic feedstock is established in this work. Through many explorations and optimizations, the single successful multi-step synthesis was found to comprise: (1) the Piancatelli rearrangement of furfuryl alc. to 4-hydroxycyclopent-2-enone (4-HCP), (2) a highly improved isomerization of 4-HCP into cyclopentane-1,3-dione (CPDO) using the Ru Shvo catalyst, (3) conversion of CPDO into cyclopentane-1,3-dioxime (CPDX), and (4) a mild oxime hydrogenation of CPDX over Rh/C to afford the desired CPDA. In addition, diastereomerically pure cis- and trans-isomers of CPDA were reacted with (A) bio-based lactones, and (B) 5-(hydroxymethyl)furfural (HMF) to synthesize novel bifunctional diol monomers with internal amide and imine groups, resp. Monomer 5, derived using 绾?valerolactone (GVL), was successfully applied in the synthesis of polyurethanes. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Computed Properties of C10H18O2).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 绾?valerolactone.Computed Properties of C10H18O2

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

Mediated melt functionalization of polypropylene was written by Drooghaag, X.;Rousseaux, D. D. J.;Henry, G. R. P.;Sclavons, M.;Carlier, V.;Marchand-Brynaert, J.. And the article was included in Polymer Degradation and Stability in 2010.Application of 27249-90-7 This article mentions the following:

This work investigated the ability of several kinds of mols. to mediate the melt functionalization of polypropylene. N-Bromosuccinimide, nitroxides, iniferters, thiols and RAFT chain transfer agents were tested as potential mediators. The grafting of maleic anhydride onto polypropylene was carried out with and without mediator and the grafted polymers are discussed in terms of graft content, graft structure and mol. weights In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Application of 27249-90-7).

Benzyl benzodithioate (cas: 27249-90-7) 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 of 27249-90-7

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

Asymmetric synthesis of D– and L-mannosamine was written by O’Neill, A. N.. And the article was included in Canadian Journal of Chemistry in 1959.Related Products of 6730-10-5 This article mentions the following:

D-Mannosamine-HCl (I) was prepared in four steps from D-arabino-tetraacetoxy-1-nitro-1-hexene (D-II). The critical step involved the stereo-specific addition of NH₃ to D-II. The steric course of the addition was discussed in terms of the Cram rule. Powd. D-II was added slowly to a saturated solution of NH₃ in absolute MeOH and left at 5鎺?for 18 h. Concentration in vacuo gave 82% N-acetyl-1-deoxy-1-nitro-D-mannosaminol (D-III), m. 172-3鎺?(MeOH), [浼猐²⁴_D -13.2鎺?(c 1.1, H₂O), main IR bands given. Similarly, L-II gave L-III, m. 172.0-2.5鎺? [浼猐²⁴_D 14.9鎺?(c 1.5, H₂O). A cold solution of 10 g. D-III in 25 mL. 2N NaOH was added dropwise to a cold solution of 12 mL. H₂SO₄ in 15 mL. H₂O while the temperature was maintained at 10-5鎺? The solution was neutralized with warm aqueous Ba(OH)₂ and the filtrate was concentrated in vacuo. The residue was dried in vacuo over P₂O₅ and then treated with 125 mL. Ac₂O and 100 mL. pyridine at 0鎺?for 3 days. The mixture was poured onto 500 mL. ice and H₂O and extracted with CHCl₃. The CHCl₃ extract was washed, dried, and concentrated in vacuo to afford 13 g. 2-acetamido-1,3,4,6-tetra-O-acetyl-2-deoxy-灏?D-mannose (D-IV), m. 162-3鎺?(EtOH-Et₂O), [浼猐²⁴_D -17.0 (c 1.8, CHCl₃). Similarly, L-III afforded L-IV, m. 162-3鎺? [浼猐²⁵_D 18.0鎺?(c 1.1, CHCl₃). Treating 0.200 g. D-IV with hot dilute HCl yielded 0.107 g. I, [浼猐²⁵_D -4 (c 1.0, 3% HCl). A cold solution of 10 g. D-IV in 150 mL. absolute MeOH was treated with 0.4N Ba(OH)₂ 24 h. at 0鎺? An equal volume H₂O was added and the solution was shaken with IR-120 and IR-45 Amberlite resins. The filtrate was concentrated in vacuo to afford 5.0 g. sirup (V) and 0.75 g. 2-acetamido-2-deoxy-D-glucose (VI), m. 193-6鎺?(EtOH-Et₂O) with decomposition starting at 185鎺? [浼猐²⁶_D 75.0鎺?(c 1.2, H₂O), with mutarotation. A solution of 0.100 g. VI in 1 mL. 2N HCl was heated at 100鎺?for 2 h. to give 0.093 g, D-glucosamine-HCl (VII), [浼猐²⁵_D 82.4鎺?(c 0.91, H₂O) with mutarotation. Treating V with aqueous HCl afforded VII, [浼猐²⁵_D 98鎺?(c 1.1, H₂O) with mutarotation, and a small amount of I, [浼猐²⁶_D -4鎺?(c 1.0, 2.5% aqueous HCl). An aqueous solution of 80 g. VII was oxidized with 200 g. yellow H₂O to provide 50% D-glucosaminic acid (VIII), [浼猐²⁵_D -14鎺?(c 1.3, 2.5% aqueous HCl). A solution of 40 g. VIII in 400 mL. H₂O and 40 mL. pyridine was heated at 100鎺?for 24 h. to yield D-mannosaminic acid (IX), [浼猐²⁴_D 10鎺?(c 1.5, 2.5% aqueous HCl). Treating IX with alc. HCl afforded 75% IX lactone, [浼猐²⁴_D 45鎺?(c 1.4, H₂O). The IX lactone was reduced with 2.5% Na-Hg to give 60% I, [浼猐²⁴_D -4.0鎺?(c 2.0, 2.5% aqueous HCl); pentaacetate m. 161-2鎺? [浼猐²⁴_D -18鎺?(c 1.5, CHCl₃). In the experiment, the researchers used many compounds, for example, (2S,3S,4R,5S,6R)-3-Acetamido-6-(acetoxymethyl)tetrahydro-2H-pyran-2,4,5-triyl triacetate (cas: 6730-10-5Related Products of 6730-10-5).

(2S,3S,4R,5S,6R)-3-Acetamido-6-(acetoxymethyl)tetrahydro-2H-pyran-2,4,5-triyl triacetate (cas: 6730-10-5) 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. 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.Related Products of 6730-10-5

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

Interaction of phenolic acids and their derivatives with human serum albumin structure-affinity relationships and effects on antioxidant activity was written by Zhang, Yunyue;Wu, Simin;Qin, Yinghui;Liu, Jiaxin;Liu, Jingwen;Wang, Qingyu;Ren, Fazheng;Zhang, Hao. And the article was included in Food Chemistry in 2018.Product Details of 81245-24-1 This article mentions the following:

In this study, 111 phenolic acids and their derivatives were chosen to investigate their structure-affinity relationships when binding to human serum albumin (HSA), and effects on their antioxidant activity. A comprehensive math. model was employed to calculate the binding constants, using a fluorescence quenching method, and this was corrected for the inner-filter effect to improve accuracy. We found that a hydroxy group at the 2-position of the benzene ring exerted a pos. effect on the affinities, while a 4-hydroxy substituent had a neg. influence. Both methylation of the hydroxy groups and replacing the hydroxy groups with Me groups at the 3- and 4-positions of the benzene ring enhanced the binding affinities. Hydrophobic force and hydrogen bonding were binding forces for the phenolic acids, and their Me esters, resp. The antioxidant activity of the HSA-phenolic acid interaction compounds was higher than that of the phenolic acids alone. 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. 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.Product Details of 81245-24-1

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