Tag: 100-200

Design, Synthesis, and Structure-Activity Relationship of a Novel Series of GluN2C-Selective Potentiators [Erratum to document cited in CA160:398927] was written by Zimmerman, Sommer S.;Khatri, Alpa;Garnier-Amblard, Ethel C.;Mullasseril, Praseeda;Kurtkaya, Natalie L.;Gyoneva, Stefka;Hansen, Kasper B.;Traynelis, Stephen F.;Liotta, Dennis C.. And the article was included in Journal of Medicinal Chemistry in 2015.Safety of Methyl 2-methoxy-4-methylbenzoate This article mentions the following:

On page 2341, compound 162 in Table 4 should have an isonicotinoyl group in the R₁ position instead of a Me group. On page 2345, compounds 159 and 160 in Table 3 should have a Me group in the 2-position of the indole, and the R¹ should be a Me group instead of the nicotinoyl group shown. After rechecking the purity of all reported compounds, compounds 66-68, 85, 89, 90, 100, and 112 did not meet the J. Med. Chem. purity standards In the experiment, the researchers used many compounds, for example, Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1Safety of Methyl 2-methoxy-4-methylbenzoate).

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. 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.Safety of Methyl 2-methoxy-4-methylbenzoate

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

Synthesis of biologically active 2-hydroxy-5-pyridinoyl amino acids and 2-(aminoacyl)aminopyridine-3-(or -5-)carboxylic acid derivatives was written by El-Naggar, A. M.;El-Haddad, A. F.;Badie, M. F.;Latif, M. S.;Gommaa, A. M.. And the article was included in Afinidad in 1983.Related Products of 14667-47-1 This article mentions the following:

6-Hydroxy-3-pyridinecarboxylate condensed with H-X-OMe.HCl (X = Gly, Ala, Ser, Val, Leu) in DMF containing DCC and Et₃N to give 55-69% pyridinecarbonyl amino acids I (R = OMe), which were treated with N₂H₄ to give 77-91% I (R = NHNH₂). I (X = Val, Leu; R = NHNH₂) were coupled with H-Ser-OMe.HCl by the azide method to give the corresponding dipeptides in 43-51% yield. Pyridinyl amino acid derivatives II and III [R¹ = tosyl (Tos), phthaloyl (Pht); X¹ = Ala, Ser, Val, Leu; R² = OMe] were prepared in 54-80% yields by condensing tosyl or phthaloyl amino acids with Me 2-amino-3-pyridinecarboxylate and Me 6-amino-3-pyridinecarboxylate, resp. II and III (R¹ = Tos; X¹ = Ser, Val, Leu; R² = OMe) were treated with N₂H₄ to give 55-80% II and III (R¹ = Tos, R² = NHNH₂), whereas II and III (R² = Pht; X¹ = Ala, Ser, Val, Leu; R² = OMe) underwent hydrazinolysis to give 52-66% II and III (R¹ = H, R² = NHNH₂). Dipeptides IV (X²-X³ = Val-Ser, Ala-Val, Ser-Leu) and V (X²-X³ = Ala-Ser, Ser-Val, Val-Leu) were also prepared Several of these compounds exhibited antimicrobial activity. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Related Products of 14667-47-1).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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.Related Products of 14667-47-1

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

Chemoselective Deoxygenation of 2° Benzylic Alcohols through a Sequence of Formylation and B(C₆F₅)₃-Catalyzed Reduction was written by Richter, Sven C.;Oestreich, Martin. And the article was included in European Journal of Organic Chemistry in 2021.Electric Literature of C10H12O3 This article mentions the following:

A sequence of formylation and B(C₆F₅)₃-catalyzed reduction of the resulting formate with Et₃SiH enables the chemoselective deoxygenation of secondary benzylic alcs. Primary benzylic and tertiary non-benzylic alcs. are not reduced by this protocol. The formyl group fulfills a double role as activator and self-sacrificing protecting group. The deoxygenation of these formates is fast and can be carried out in the presence of other potentially reducible groups. Neighboring-group participation was found in the deoxygenation of certain diol motifs. In the experiment, the researchers used many compounds, for example, Methyl 2-(4-(hydroxymethyl)phenyl)acetate (cas: 155380-11-3Electric Literature of C10H12O3).

Methyl 2-(4-(hydroxymethyl)phenyl)acetate (cas: 155380-11-3) 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. 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.Electric Literature of C10H12O3

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

Discovery and structure-activity relationship of N-(ureidoalkyl)-benzyl-piperidines as potent small molecule CC chemokine receptor-3 (CCR3) antagonists was written by De Lucca, George V.;Kim, Ui T.;Johnson, Curt;Vargo, Brian J.;Welch, Patricia K.;Covington, Maryanne;Davies, Paul;Solomon, Kimberly A.;Newton, Robert C.;Trainor, George L.;Decicco, Carl P.;Ko, Soo S.. And the article was included in Journal of Medicinal Chemistry in 2002.Name: 3-Cyanophenylisocyanate This article mentions the following:

Structure-activity relationship (SAR) studies of initial screening hits from our corporate library of compounds and a structurally related series of CCR1 receptor antagonists were used to determine that an N-(alkyl)benzylpiperidine is an essential pharmacophore for selective CCR3 antagonists. Further SAR studies that introduced N-(ureidoalkyl) substituents improved the binding potency of these compounds from the micromolar to the low nanomolar range. This new series of compounds also displays highly potent, in vitro functional CCR3-mediated antagonism of eotaxin-induced Ca²⁺ mobilization and chemotaxis of human eosinophils. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Name: 3-Cyanophenylisocyanate).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Name: 3-Cyanophenylisocyanate

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

Urea derivatives carrying a thiophenylthiazole moiety: Design, synthesis, and evaluation of antitubercular and InhA inhibitory activities was written by Keles Atici, Rueveyde;Dogan, Senguel Dilem;Guenduez, Miyase Gozde;Krishna, Vagolu Siva;Chebaiki, Melina;Homberset, Haavard;Lherbet, Christian;Mourey, Lionel;Toenjum, Tone. And the article was included in Drug Development Research in 2022.Formula: C8H4N2O This article mentions the following:

The recent emergence of drug-resistant strains of Mycobacterium tuberculosis (Mtb) has complicated and significantly slowed efforts to eradicate and/or reduce the worldwide incidence of life-threatening acute and chronic cases of tuberculosis. To overcome this setback, researchers have increased the intensity of their work to identify new small-mol. compounds that are expected to remain efficacious antimicrobials against Mtb. Here, we describe our effort to apply the principles of mol. hybridization to synthesize 16 compounds carrying thiophene and thiazole rings beside the core urea functionality (TTU1-TTU16). Following extensive structural characterization, the obtained compounds were initially evaluated for their antimycobacterial activity against Mtb H37Rv. Subsequently, three derivatives standing out with their anti-Mtb activity profiles and low cytotoxicity (TTU5, TTU6, and TTU12) were tested on isoniazid-resistant clin. isolates carrying katG and inhA mutations. Addnl., due to their pharmacophore similarities to the well-known InhA inhibitors, the mols. were screened for their enoyl acyl carrier protein reductase (InhA) inhibitory potentials. Mol. docking studies were performed to support the exptl. enzyme inhibition data. Finally, drug-likeness of the selected compounds was established by theor. calculations of physicochem. descriptors. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Formula: C8H4N2O).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Formula: C8H4N2O

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

Influence of post-harvest moisture on roasted almond shelf life and consumer acceptance was written by Luo, Kathleen K.;Chapman, Dawn M.;Lerno, Larry A.;Huang, Guangwei;Mitchell, Alyson E.. And the article was included in Journal of the Science of Food and Agriculture in 2021.Synthetic Route of C6H10O2 This article mentions the following:

BACKGROUND : The harvest weights of sweet almonds (Prunus dulcis) have significantly increased to meet consumer demand and now exceed processing facility capabilities. Crops are stockpiled for longer periods, increasing the probability of moisture exposure. Wet almonds can be mech. dried prior to processing; however, it is unclear how this practice influences lipid oxidation, shelf-life, and consumer acceptance. To address this, almonds were exposed to 8% moisture and dried with low heat (ME). Almonds were roasted and stored under accelerated conditions for 12 mo and markers of lipid oxidation, headspace volatiles, sensory attributes, and consumer liking were evaluated. RESULTS : At 7 mo of storage, light roast ME almonds had higher levels of volatiles related to lipid oxidation than non-moisture exposed almonds (NME) and were significantly higher in oxidized, cardboard and painty / solvent flavors. Although untrained consumers did not show significant preferences between the light roast ME and NME almonds, there were quality losses related to lipid oxidation that trained panelists could detect. Dark roast ME almonds demonstrated significant lipid oxidation by 5 mo of storage, indicating they will have a compromised shelf life. Findings also indicate that octanal, nonanal, 2-octenal, and hexanoic acid are good indicators of consumer acceptability. CONCLUSION : The results of this research illustrate that post-harvest moisture exposure with mech. drying has a significant effect on the storage quality of roasted almonds and is most pronounced in dark roast products. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Synthetic Route of C6H10O2).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Synthetic Route of C6H10O2

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

CuO-Catalyzed oxidation of aryl acetates with aqueous tert-butyl hydroperoxide for the synthesis of α-ketoesters was written by Jiang, Jin. And the article was included in Journal of Chemical Research in 2019.Application of 19432-68-9 This article mentions the following:

A practical method to access α-ketoesters ArC(O)C(O)OR [Ar = Ph, 4-BrC₆H₄, 2-thienyl, etc.; R = Me, iPr, Bn, etc.] via CuO catalyzed oxidation of aryl acetates using aqueous tert-Bu hydroperoxide was developed. No addnl. solvents were required in this method and it was found the peroxide side products in the reaction could be decomposed to products by using pyridine. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Application of 19432-68-9).

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

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

The hydrolysis of carboxylic anhydrides. IV. Succinic and tetramethylsuccinic anhydrides was written by Bunton, C. A.;Fendler, J. H.;Fuller, N. A.;Perry, S.;Rocek, J.. And the article was included in Journal of the Chemical Society in 1963.Related Products of 584-74-7 This article mentions the following:

Hydrolysis of succinic and tetramethylsuccinic anhydride is retarded by aqueous mineral acids (except for dilute H₂SO₄ and HCl). It is acid-catalyzed in aqueous dioxane. Hydrolysis of succinic anhydride in water is accelerated by bivalent electrolytes, but retarded by univalent electrolytes (except for NaHSO₄). In water the feeble catalysis by protons is opposed by a sp. neg. salt effect, but the rate in aqueous acid is always greater than that in solutions of the alkali-metal salts. In the experiment, the researchers used many compounds, for example, Ethyl 2-fluorophenylacetate (cas: 584-74-7Related Products of 584-74-7).

Ethyl 2-fluorophenylacetate (cas: 584-74-7) 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. 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.Related Products of 584-74-7

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

Biodegradation of dibenzothiophene by efficient Pseudomonas sp. LKY-5 with the production of a biosurfactant was written by Li, Lin;Shen, Xianwei;Zhao, Chaocheng;Liu, Qiyou;Liu, Xuwei;Wu, Yanan. And the article was included in Ecotoxicology and Environmental Safety in 2019.Quality Control of Ethyl 2-hydroxybenzoate This article mentions the following:

A potent bacterial strain capable of degrading dibenzothiophene (DBT) was isolated and evaluated for its characteristics. The strain, designated as LKY-5, is rod-shaped, gram-neg., and occurs mainly in clusters. It was identified as belonging to the Pseudomonas genus based on the 16S rDNA sequence and phylogenic anal. Determination of its DBT depletion efficiency by gas chromatog. revealed that the isolate was able to completely degrade up to 100 mg L^-1 DBT within 144 h. The pH values, DBT concentrations, and biomasses in the medium varied significantly in the initial 24 h. A biosurfactant produced by LKY-5 was extracted and identified as a di-rhamnolipid with the formula Rha-Rha-C₈-C_8:1 by HPLC-ESI-MS/MS. There were 26 metabolites in the DBT degradation process. Pseudomonas sp. LKY-5 exhibited unusually high DBT degradation efficiency via multiple metabolic pathways. Compared with the reported 4S and Kodama pathways, two more expanded metabolic pathways for the degradation of DBT are proposed. The polycyclic aromatic sulfur heterocycles (PASHs) in diesel, such as C₁-DBT, C₂-DBT, C₃-DBT, 4,6-DMDBT, and 2,4,6-TMDBT, can also be degraded with 28.2-42.3% efficiency. The results showed that LKY-5 is an excellent bacterial candidate for the bioremediation of PASH-contaminated sites and sediments. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Quality Control of Ethyl 2-hydroxybenzoate).

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. 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.Quality Control of Ethyl 2-hydroxybenzoate

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

Pd-Catalyzed Divergent C(sp²)-H Activation/Cycloimidoylation of 2-Isocyano-2,3-diarylpropanoates was written by Tang, Shi;Yang, Sheng-Wen;Sun, Hongwei;Zhou, Yali;Li, Juan;Zhu, Qiang. And the article was included in Organic Letters in 2018.Computed Properties of C10H11FO2 This article mentions the following:

A Pd-catalyzed site-selective C(sp²)-H activation/cycloimidoylation of 2-isocyano-2,3-diarylpropanoates to construct diverse cyclic imine products has been developed. Six-membered 3,4-dihydroisoquinolines containing a C3 quaternary carbon center were generated dominantly by using bulky Ad₂Pn-Bu as a ligand, while five-membered 1,1-disubstituted 1H-isoindoles were formed preferentially in the presence of bidentate phosphine ligand DPPB. The selectivity for 1H-isoindole formation was enhanced by using steric hindered aryl iodides. DFT calculations suggested that the exptl. observed ligand-controlled selectivity was a result of trans effect. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Computed Properties of C10H11FO2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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. 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.Computed Properties of C10H11FO2

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