Author: tianli

Li, Zhang published the artcileDesign, synthesis and evaluation of novel diaryl-1,5-diazoles derivatives bearing morpholine as potent dual COX-2/5-LOX inhibitors and antitumor agents, Application In Synthesis of 622-40-2, the publication is European Journal of Medicinal Chemistry (2019), 168-184, database is CAplus and MEDLINE.

In this paper, 41 hybrid compounds containing diaryl-1,5-diazole and morpholine structures, compounds I [R¹ = H, F, Me, etc.; R² = H, F, Cl, etc.; X = O, S] and II [R³ = H, F, MeO, etc.; Y = O, NH; n = 2,3] acting as dual COX-2/5-LOX inhibitors have been designed, synthesized and biol. evaluated. Most of them showed potent antiproliferative activities and COX-2/5-LOX inhibitory in-vitro. Among them, compound II [R³ = CF₃, Y = NH, n = 3] displayed the most potency against cancer cell lines (IC₅₀ = 6.43-10.97 μM for F10, HeLa, A549 and MCF-7 cells), lower toxicity to non-cancer cells than celecoxib (A33: IC₅₀ = 194.01 μM vs.celecoxib: IC₅₀ = 97.87 μM for 293T cells), and excellent inhibitory activities on COX-2 (IC50 = 0.17 μM) and 5-LOX (IC₅₀ = 0.68 μM). Meanwhile, the mol. modeling study was performed to position compound II [R³ = CF₃, Y = NH, n = 3] into COX-2 and 5-LOX active sites to determine the probable binding models. Mechanistic studies demonstrated that compound II [R³ = CF₃, Y = NH, n = 3] could block cell cycle in G2 phase and subsequently induced apoptosis of F10 cells. Furthermore, compound II [R³ = CF₃, Y = NH, n = 3] could significantly inhibit tumor growth in F10-xenograft mouse model, and pharmacokinetic study of compound A33 indicated that it showed better stability in vivo. In general, compound II [R³ = CF₃, Y = NH, n = 3] could be a promising candidate for cancer therapy.

European Journal of Medicinal Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, Application In Synthesis of 622-40-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Linclau, Bruno published the artcileInvestigating the Influence of (Deoxy)fluorination on the Lipophilicity of Non-UV-Active Fluorinated Alkanols and Carbohydrates by a New log P Determination Method, Recommanded Product: 3,3,3-Trifluoropropan-1-ol, the publication is Angewandte Chemie, International Edition (2016), 55(2), 674-678, database is CAplus and MEDLINE.

Property tuning by fluorination is very effective for a number of purposes, and currently increasingly investigated for aliphatic compounds An important application is lipophilicity (log P) modulation. However, the determination of log P is cumbersome for non-UV-active compounds A new variation of the shake-flask log P determination method is presented, enabling the measurement of log P for fluorinated compounds with or without UV activity regardless of whether they are hydrophilic or lipophilic. No calibration curves or measurements of compound masses/aliquot volumes are required. With this method, the influence of fluorination on the lipophilicity of fluorinated aliphatic alcs. was determined, and the log P values of fluorinated carbohydrates were measured. Interesting trends and changes, for example, for the dependence on relative stereochem., are reported.

Angewandte Chemie, International Edition published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Recommanded Product: 3,3,3-Trifluoropropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Jeffries, Benjamin published the artcileReducing the Lipophilicity of Perfluoroalkyl Groups by CF₂-F/CF₂-Me or CF₃/CH₃ Exchange, Recommanded Product: 3,3,3-Trifluoropropan-1-ol, the publication is Journal of Medicinal Chemistry (2018), 61(23), 10602-10618, database is CAplus and MEDLINE.

Fluorination is commonly employed to optimize bioactivity and pharmaco-kinetic properties of drug candidates. Aliphatic fluorination often reduces the lipophilicity (log P), but polyfluoroalkylation typically increases lipophilicity. Hence, identification of polyfluorinated motifs that nonetheless lead to similar or even reduced lipophilicities is of interest to expand the arsenal of medicinal chem. tools in tackling properties such as compound metabolic stability or off-target selectivity. We show that changing a CF₃-group of a perfluoroalkyl chain to a Me group leads to a drastic reduction in lipophilicity. We also show that changing a C-F bond of a trifluoromethyl group, including when incorporated as part of a perfluoroalkyl group, to a C-Me group, leads to a reduction in log P, despite the resulting chain elongation. The observed lipophilicity trends were identified in fluorinated alkanol models and reproduced when incorporated in analogs of a drug candidate, and the metabolic stability of these motifs was demonstrated.

Journal of Medicinal Chemistry published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Recommanded Product: 3,3,3-Trifluoropropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Fontenelle, Clement Q. published the artcileDesign of fluorinated 5-HT₄R antagonists: Influence of the basicity and lipophilicity toward the 5-HT₄R binding affinities, Product Details of C3H5F3O, the publication is Bioorganic & Medicinal Chemistry (2013), 21(23), 7529-7538, database is CAplus and MEDLINE.

Analogs of potent 5-HT₄R antagonists possessing a fluorinated N-alkyl chain have been synthesized to investigate the effect of the resulting change in basicity and lipophilicity on the affinity and selectivity profile. The authors demonstrate that for this series, the affinity is decreased with decreased basicity of the piperidine’s nitrogen atom. In contrast, the resulting increase in lipophilicity has minimal impact on binding affinity and selectivity. 3,3,3-Trifluoropropyl and derivatives 7-Fluoro-5-[1-(4,4,4-triuorobutyl)piperidin-4yl]methyloxybenzo[h]-1,6-naphthyridine 4,4,4-trifluorobutyl and 7-Fluoro-5-[1-(3,3,3-triuoropropyl)piperidin-4yl]methyloxybenzo[h]-1,6-naphthyridine have shown to bind to the 5-HT₄R while maintaining their pharmacol. profile and selectivity toward other 5-HT receptors.

Bioorganic & Medicinal Chemistry published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Product Details of C3H5F3O.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Feng, Yi-chao published the artcileApplication analysis of modified Zhike powder combined with ambroxol hydrochloride granules in treatment of chronic cough, Formula: C13H19Br2ClN2O, the publication is Xiandai Zhenduan Yu Zhiliao (2021), 32(6), 850-851, database is CAplus.

Objective: To investigate the application effect of Zhike powder combined with ambroxol hydrochloride granules in the treatment of chronic cough. Methods: A total of 80 patients with chronic cough who were admitted to our hospital from Apr. 2017 to March 2019 were selected and randomly divided into the control group and the observation group, 40 cases in each group. The control group was given ambroxol hydrochloride granules, the observation group was given modified Zhike powder, and both groups were treated for 14 d. The clin. efficacy, cough symptom scores and adverse reactions were compared between the two groups of patients after treatment. Results: After treatment, the total effective rate of the observation group was higher than that of the control group, and the difference was statistically significant (P<0.05). The cough symptom scores of the two groups were lower than those before treatment, and the observation group was lower than the control group, and the difference was statistically significant (P<0.05). There was no significant difference in the incidence of adverse reactions between the two groups (P>0.05). Conclusion: Modified Zhike Powder combined with ambroxol hydrochloride granules can improve the clin. efficacy of patients with chronic cough and relieve cough symptoms, and the medication is safe and worthy of clin. use.

Xiandai Zhenduan Yu Zhiliao published new progress about 23828-92-4. 23828-92-4 belongs to alcohols-buliding-blocks, auxiliary class Membrane Transporter/Ion Channel,Sodium Channel, name is trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride, and the molecular formula is C13H19Br2ClN2O, Formula: C13H19Br2ClN2O.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Cui, Lei published the artcilePhase identification using modified principal component analysis for industrial 2-keto-L-gulonic acid fermentation, Formula: C6H10O7, the publication is Jisuanji Yu Yingyong Huaxue (2017), 34(9), 693-696, database is CAplus.

In this paper, based on the dynamic characteristics of industrial 2-keto-L-gulonic acid fermentation, the principal component anal. (PCA) with time delay window is proposed to identify the different stages of fermentation process. Only the online measurement data of the current batch, which related to the state of the fermentation process, are needed in the method. In order to obtain the dynamic relationship of the fermentation process, the time delay window is introduced, and the dynamic state of the t moment is represented by the process variables during the period from t-D to t, not just the moment t. The PC Scores of the PCA is used to obtain the curve of Hotelling′s T² statistical variable. The singular points of the curve contain more information of dynamic behavior, and could be used to detect different fermentation stages. Furthermore, it has significance to improve the level of process control, for example, it could offer real-time guidance for off-line sampling and anal. time.

Jisuanji Yu Yingyong Huaxue published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C6H10O7, Formula: C6H10O7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Babii, Oksana published the artcileLow molecular weight chitosan nanoparticles for CpG oligodeoxynucleotides delivery: Impact of molecular weight, degree of deacetylation, and mannosylation on intracellular uptake and cytokine induction, Related Products of alcohols-buliding-blocks, the publication is International Journal of Biological Macromolecules (2020), 46-56, database is CAplus and MEDLINE.

Although synthetic CpG oligodeoxynucleotides (ODNs) have shown substantial potential as immunotherapeutic agents, their effective intracellular delivery remains challenging. In this work, nanoparticles prepared from low-mol. weight (LMW) chitosans were investigated as CpG ODN delivery systems. Chitosan samples with a mol. weight (M_w) of 5 and 15 kDa and degree of deacetylation (DDA) of 50 and 80% were prepared Addnl., mannosylated chitosans with a substitution degree of 15% were synthesized. The impact of LMW chitosan M_w and DDA on nanoparticle phys. properties and the associated immunostimulatory effect in RAW 264.7 cells was studied. Nanoparticles prepared with chitosan of higher DDA and larger M_w exhibited better CpG ODN binding ability and intracellular uptake. Nevertheless, the most efficient immunostimulatory effect was observed while using 50% acetylated and mannosylated samples. The decreased charge d. on chitosan backbone resulted in the enhanced intracellular CpG ODN release, which promoted in vitro cytokine secretion. Moreover, mannose ligand grafting promoted nanoparticle uptake through receptor-mediated recognition. Overall, this research suggests that chitosan structural parameters can be modulated to prepare LMW chitosan nanoparticles that first efficiently encapsulate CpG ODN, and then release it in immune cells, thus may be used as an efficient vector for intracellular CpG ODN delivery.

International Journal of Biological Macromolecules published new progress about 96345-79-8. 96345-79-8 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Gal and Man, name is (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C13H15NO6S, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Yang, Hao published the artcileIdentification of cerebrospinal fluid metabolites as biomarkers for neurobrucellosis by liquid chromatography-mass spectrometry approach, COA of Formula: C8H8O3, the publication is Bioengineered (2022), 13(3), 6996-7010, database is CAplus and MEDLINE.

Neurobrucellosis is the most morbid form in brucellosis disease. Metabolomics is an emerging method which intends to explore the global alterations of various metabolites in samples. We aimed to identify metabolites in cerebrospinal fluid (CSF) as biomarkers that were potentially unique for neurobrucellosis. CSF samples from 25 neurobrucellosis patients and 25 normal controls (uninfected patients with hydrocephalus) were collected for metabolite detection using liquid chromatog.-mass spectrometry (LC-MS) approach. Inflammatory cytokines in CSF were measured with ELISA (ELISA). The base peak chromatogram in CSF samples showed that small-mol. metabolites were well separated Principal Component Anal. (PCA) anal. exhibited the examined samples were arranged in two main clusters in accordance with their group. Projection to Latent Structures Discriminant Anal. (PLS-DA) revealed there was a noticeable separation between neurobrucellosis and normal groups. Orthogonal Partial Least-Squares-Discriminant Anal. (OPLS-DA) could responsibly illuminate the differences between neurobrucellosis and normal controls. Neurobrucellosis showed a total of 155 differentiated metabolites. Prominent potential biomarkers including 30 metabolites were then selected out, regarded as more capable of distinguishing neurobrucellosis. TNF-α and IL-6 in CSF were remarkably increased in neurobrucellosis. We presented the heatmaps and correlation analyses among the identified 30 potential biomarkers. In conclusion, this study showed that CSF metabolomics based on LC-MS could distinguish neurobrucellosis patients from normal controls. Our data offered perspectives for diagnosis and treatment for neurobrucellosis.

Bioengineered published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C48H47FeP, COA of Formula: C8H8O3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ren, Xinyi published the artcileAsymmetric Alkoxy- and Hydroxy-Carbonylations of Functionalized Alkenes Assisted by β-Carbonyl Groups, Application In Synthesis of 20880-92-6, the publication is Angewandte Chemie, International Edition (2021), 60(32), 17693-17700, database is CAplus and MEDLINE.

As a fundamental type of carbonylation reaction, the alkoxy- and hydroxy-carbonylation of unsaturated hydrocarbons constitutes one of the most important industrial applications of homogeneous catalysis. However, owing to the difficulties in controlling multi-selectivities for asym. hydrocarbonylation of alkenes, this reaction is typically limited to vinylarenes and analogs. In this work, a highly efficient asym. alkoxy- and hydroxy-carbonylation of β-carbonyl functionalized alkenes was developed, providing practical and easy access to various densely functionalized chiral mols. with high optical purity from broadly available alkenes, CO, and nucleophiles (>90 examples, 84-99% ee). This protocol features mild reaction conditions and a broad substrate scope, and the products can be readily transformed into a diverse array of chiral heterocycles. Control experiments revealed the key role of the β-carbonyl group in determining the enantioselectivity and promoting the activity, which facilitates chiral induction by coordination to the transition metal as rationalized by DFT calculations The strategy of utilizing an innate functional group as the directing group on the alkene substrate might find further applications in catalytic asym. hydrocarbonylation reactions.

Angewandte Chemie, International Edition published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C12H20O6, Application In Synthesis of 20880-92-6.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Mao, Yong published the artcileEffect of TIPA/TEA combined grinding aid on the behavior of quartz flotation in DDA system, Category: alcohols-buliding-blocks, the publication is Powder Technology (2022), 117570, database is CAplus.

In this paper, different dosages of TIPA, TEA and their combined grinding aid were added to the process of quartz grinding and their influence on the grinding efficiency and flotation recovery in DDA system was investigated. From the grinding and flotation experiments, It can be known that the effect of the combined grinding aid was better than that of a single reagent, which can not only significantly improve the grinding efficiency of quartz, but also increase the recovery of quartz from flotation. Based on the results of FT-IR spectroscopy, XPS anal., quantum chem. and solution chem. calculations, it can be seen that the hydroxyl groups in the TIPA/TEA combined grinding aid formed hydrogen bonds with O on the (101) surface of quartz, while collector DDA was mainly electrostatically adsorbed on the surface of quartz with neg. potential, and the introduction of combined grinding aid improved the adsorption of DDA, the grinding aid and collector played a synergistic role instead of competitive adsorption. The detection of contact angle and surface tension showed that the combined grinding aid can improve the hydrophobicity of quartz, reduce the surface tension and CMC value of DDA, and enhance the dispersibility of quartz, therefore, it can increase the recovery of quartz from flotation.

Powder Technology published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C9H21NO3, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts