Tag: M.W=100-150

Zolek, Teresa published the artcileDeposition of pentamidine analogues in the human body – spectroscopic and computational approaches, Application In Synthesis of 111-87-5, the main research area is pentamidine analog Pneumocystis jiroveci pneumonia prophylaxis therapy pharmacotherapy; Computational modelling; Drug-likeness; HSA and DNA interaction; Pentamidine analogues; Proton dissociation constants; Spectrofluorometry.

Bis-benzamidines are a diverse group of compounds with high potential in pharmacotherapy, and among them, pentamidine is a drug of great therapeutic significance in Pneumocystis jiroveci pneumonia (PJP) prophylaxis and therapy. Pharmacokinetic properties of these cationic species such as transport, acid/base equilibrium, and interactions with potential target mols. are still of interest, especially for recently designed compounds To broaden our knowledge drug-likeness, human serum albumin binding, and acidity constants (Ka) were exptl. and theor. examined for five pentamidine analogs 1 – 5 with -NH-CO-chain-CO-NH-bridges of increasing length and O, N, and S atoms in the chain. The studied analogs display very marked activity against Pneumocystis carinii without cytotoxicity that inspired us to perform an in silico anal. of their mode of action based on the hypothesis that the small DNA groove of rich in adenine-thymine pairs is their mol. target. These studies allowed us to classify them as very promising lead mols.

European Journal of Pharmaceutical Sciences published new progress about Absorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Application In Synthesis of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hussain, Mulla Althafh published the artcileTotal synthesis of (±)-aspidostomide B, C, regioisomeric N-methyl aspidostomide D and their derivatives, HPLC of Formula: 22483-09-6, the main research area is aspidostomide B C D analog regioselective synthesis; cyclization total synthesis aspidostomide B C D; dehydration total synthesis aspidostomide B C D; regioselective ring opening total synthesis aspidostomide B C D.

A full account of the total synthesis of aspidostomide B, C, their analogs and our synthetic efforts towards the synthesis of aspidostomide D, which led to the synthesis of regioisomeric N-Me aspidostomide D, its analogs via epoxide opening strategy is presented. The synthesis of regioisomeric N-Me aspidostomide D involves an efficient, five-step sequence, with 36.3% overall yield, starting from 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid. The key features of this protocol are intramol. cyclization, dehydration, oxidation, and a Lewis acid-mediated regioselective epoxide ring opening by C-3 position of 2,5-dibromo-1H-indole to furnish the title compounds

Tetrahedron Letters published new progress about Cyclization. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, HPLC of Formula: 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Xianheng published the artcilePreparation of Dolutegravir Intermediate Diastereomer, Safety of 2,2-Dimethoxyethanamine, the main research area is dolutegravir tricyclic intermediate diastereoselective preparation.

A convenient method was developed to prepare the diastereomer of dolutegravir tricyclic intermediate in the catalysis of EDCI/DMAP in up to 87% yield. Different solvents, temperature, and times were optimized. The synthesized diastereomer 6′ could be used as a standard for the industrial manufacture requirement of dolutegravir active pharmaceutical ingredient.

Journal of Heterocyclic Chemistry published new progress about Cyclization. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Safety of 2,2-Dimethoxyethanamine.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Xu, Hao published the artcileCharacterization of the Partition Rate of Ibuprofen Across the Water-Octanol Interface and the Influence of Common Pharmaceutical Excipients, Product Details of C8H18O, the main research area is ibuprofen bolus injection interfacial partition excipient dissolution; 2-phase dissolution; biomimetic; biorelevant; diffusion; dissolution test; interface; in vitro; partition; polymer; surfactant.

This work reports the measurement of the partition rate of a model drug, ibuprofen (IBU), from aqueous solutions into octanol in the absence and presence of common pharmaceutical excipients including glucose, lactose, maltoheptaose, hydroxypropyl methylcellulose, polyvinylpyrrolidone, polyvinylpyrrolidone-vinyl acetate, hydroxypropyl methylcellulose AS, sodium dodecyl sulfate, Tween 80, and sodium taurocholate at varying concentrations This attempts to assess the kinetic aspect of IBU partitioning across the water-octanol interface by applying a mechanistic model and to characterize the interfacial resistance. A significant reduction in Pi across the water-octanol interface was observed with extremely low concentration of the selected excipients in the aqueous media. These results reveal the presence of a surface excess of adsorbed excipients at the water-octanol interface. The retardation of the Pi of IBU was found to be sensitive to (1) the mol. weight or the d.p. of these excipients, (2) the hydrodynamic condition of the exptl. method, and (3) the pH of the aqueous media. Retardation of the Pi of IBU in the presence of excipients observed in this study is proposed by a steric obstruction mechanism through the adsorbed surface excess layer of excipients located at the water-octanol interface.

Journal of Pharmaceutical Sciences (Philadelphia, PA, United States) published new progress about Dissolution. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Product Details of C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Deliang published the artcileEffects of intramolecular hydrogen bonds on lipophilicity, Related Products of alcohols-buliding-blocks, the main research area is methoxyaniline bromophenol hydrogen bond lipophilicity drug design; Computational chemistry; Drug design; Hydrogen bonding capability; Intramolecular hydrogen bond; Lipophilicity; Partition coefficient; Physicochemical property.

Intramol. hydrogen bonds (IMHBs) affect the lipophilicity and physicochem. properties of small organic mols. and drug candidates. Considering IMHBs in drug design is an important strategy for improving the lipophilicity and physicochem. properties of drug candidates. However, how IMHBs affect the lipophilicity and partition coefficients are not well understood. Based on the relationship between the effect of IMHBs on the exptl. partition coefficients and the H-bonding capabilities of H-bond forming atoms, we explore how IMHBs affect water/n-octanol partition coefficients, water/chloroform partition coefficients, water/hexadecane partition coefficients and lipophilicity. We found that IMHBs may increase or decrease or have no effect on water/n-octanol partition coefficients, but always increase water/chloroform partition coefficients, water/hexadecane partition coefficients and lipophilicity. We introduced ΔHBC, which is the difference between the calculated and actual H-bonding capabilities of mols., for assessing the propensity of mols. to form IMHBs and the relative strengths of IMHBs. This study may help to improve the physicochem. properties of drug candidates and increase the success of drug design.

European Journal of Pharmaceutical Sciences published new progress about Drug design. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lazar, Roxana Georgiana published the artcileMechanism, influencing factors exploration and modeling on the reactive extraction of 2-ketogluconic acid in presence of a phase modifier, Recommanded Product: n-Octanol, the main research area is modeling reactive extraction ketogluconate phase modifier.

Taking into account that limited research was carried out on the reactive extraction of 2-ketogluconic acid, this study was focused on analyzing the pH dependent extraction performance and the molar ratios of acid and extractant (Amberlite LA-2) dissolved in three solvents with 1-octanol as phase modifier. Back extraction was successfully performed using NaOH solutions The mechanism of the interfacial reaction in the presence of 1-octanol, pointed out that, indifferent of the pH value and solvent polarity, only one mol. of 2-ketogluconic acid and one of extractant react at the interface. The pos. effect of 1-octanol on extraction efficiency was quantified by the amplification factor, its maximum values being 2.43 for dichloromethane, 3.67 for Bu acetate and 3.64 for n-heptane. In addition, the process was modeled using statistical regression and Artificial Neural Networks (ANNs) determined with chaos based Differential Evolution algorithm. The best ANN model had a mean squared error for the testing phase of 0.19 and modeled the process with an acceptable error.

Separation and Purification Technology published new progress about Extractants. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wu, Wan-Lin published the artcileExpression regulation of MALATE SYNTHASE involved in glyoxylate cycle during protocorm development in Phalaenopsis aphrodite (Orchidaceae), Safety of (S)-2-hydroxysuccinic acid, the main research area is Phalaenopsis sucrose glyoxylate MLS protocorm development.

Abstract: Orchid (Orchidaceae) is one of the largest families in angiosperms and presents exceptional diversity in lifestyle. Their unique reproductive characteristics of orchid are attracted by scientist for centuries. One of the synapomorphies of orchid plants is that their seeds do not contain endosperm. Lipids are used as major energy storage in orchid seeds. However, regulation and mobilization of lipid usage during early seedling (protocorm) stage of orchid is not understood. In this study, we compared transcriptomes from developing Phalaenopsis aphrodite protocorms grown on 1/2-strength MS medium with sucrose. The expression of P. aphrodite MALATE SYNTHASE (PaMLS), involved in the glyoxylate cycle, was significantly decreased from 4 days after incubation (DAI) to 7 DAI. On real-time RT-PCR, both P. aphrodite ISOCITRATE LYASE (PaICL) and PaMLS were down-regulated during protocorm development and suppressed by sucrose treatment. In addition, several genes encoding transcription factors regulating PaMLS expression were identified. A gene encoding homeobox transcription factor (named PaHB5) was involved in pos. regulation of PaMLS. This study showed that sucrose regulates the glyoxylate cycle during orchid protocorm development in asymbiotic germination and provides new insights into the transcription factors involved in the regulation of malate synthase expression.

Scientific Reports published new progress about Fatty acids. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Safety of (S)-2-hydroxysuccinic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Deliang published the artcileA general linear free energy relationship for predicting partition coefficients of neutral organic compounds, Category: alcohols-buliding-blocks, the main research area is neutral organic compound free energy relationship partition coefficient QSPR; Computational chemistry; Hydrogen bonding capability; Linear free energy relationship; Partition coefficient; Physicochemical property; Quantitative structure-property relationship.

Predicting the effects of organic compounds on environments and biol. systems is an important objective for environmental chem. and human health. The logarithm (to base 10) of the n-octanol-water partition coefficient has been widely used to predict the mentioned properties. However, the suitability of this parameter for the purpose has been questioned, since the environments relating to the properties may be quite different from that of bulk n-octanol. In this study, we used a theor. derivation approach to develop a model for predicting the partition coefficients of solutes between water and an organic solvent that may be similar to n-octanol or quite different from it. Our model relies on solute descriptors that can be calculated based on solute structures. It was used to predict the n-octanol-water, hexadecane-water and chloroform-water partition coefficients of solutes. The calculated values of the examined parameters agreed well with their exptl. counterparts. The model can find application in the accurate prediction of the effects of organic compounds on environments and the physicochem. properties of organic compounds by a full in-silico approach and can provide useful guidance for improving some properties of organic compounds

Chemosphere published new progress about Free energy. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Qingsong published the artcileLiquid-liquid phase equilibrium and interaction exploration for separation 2-methoxy-phenol and water with different solvents, Recommanded Product: n-Octanol, the main research area is methoxy phenol water solvent liquid phase equilibrium.

To recover 2-methoxy-phenol in water, C5-C8 alkyl alcs. were selected as extractants to sep. water and 2-methoxy-phenol. The liquid-liquid equilibrium (LLE) data for water + 2-methoxy-phenol + {1-pentanol, 1-hexanol, 1-heptanol or 1-octanol} were explored in 303.2 K under 101.3 kPa. The extraction performance of four extractants was assessed through the distribution coefficient (D) and separation factor (S). Meanwhile, the NRTL and UNIQUAC models were used to correlate and fit the data to obtain regression parameters. Furthermore, the mixed surface anal. based on Gibbs energy topol. verified that the binary interaction parameters are consistent with the measured data. The LLE data were also predicted through the COSMO-UNIFAC model. The root mean square deviation (RMSD) of the three models do not exceed 0.0023, 0.0030, and 0.0234, resp., indicating that the NRTL and UNIQUAC models are suitable for the correlation of the studied system and the COSMO-UNIFAC model can be the way to predict the LLE data of the researched system within the scope of this work. In addition, the interaction and interaction energy between component mols. were studied through the DMol3 module.

Journal of Molecular Liquids published new progress about Free energy. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lee, Jic-Hyun published the artcileProduction of γ-Aminobutyric Acid and Its Supplementary Role in the TCA Cycle in Rice (Oryza sativa L.) Seedlings., Related Products of alcohols-buliding-blocks, the main research area is Oryza seed germination gamma aminobutyric acid TCA cycle.

In this study, we analyzed GABA shunt-related amino acids [glutamate (Glu), alanine (Ala), and GABA] and tricarboxylic acid (TCA)-cycle-related organic acids (pyruvate, citrate, α-ketoglutarate, succinate, fumarate, and malate) in rice, under dark and anaerobic conditions, to investigate the role of GABA in rice germination. The change in the GABA content before and after germination was compared using 2 cultivars selected from 18 varieties of Korean rice. Correlation anal. indicated that the metabolism of GABA in germinating rice might be related to Ala metabolism In a two-way stress study, GABA content was found to be pos. related to TCA-cycle organic acid contents (α-ketoglutarate, succinate, fumarate, and malate) but show a neg. relation with GABA shunt-related amino acid contents (Glu, Ala). In the dark, accumulation of TCA-cycle organic acids was observed, but Glu and Ala levels were reduced. GABA treatment (1 mM) in dark conditions produced TCA-cycle organic acids at levels similar to those in light conditions. In anaerobic conditions, TCA-cycle-related compounds accumulated at a high level, but Glu and Ala were remarkably reduced compared with normal conditions. As a result, GABA shunt is connected with TCA-cycle organic acids, but not amino acids. In conclusion, the present research suggests that GABA, accumulated in certain stress conditions, supplies organic acids such as succinate to the TCA cycle.

Journal of Plant Growth Regulation published new progress about Germination. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts