Month: December 2022

Westfall, Susan published the artcileOptimization of probiotic therapeutics using machine learning in an artificial human gastrointestinal tract, Formula: C8H8O3, the publication is Scientific Reports (2021), 11(1), 1067, database is CAplus and MEDLINE.

The gut microbiota’s metabolome is composed of bioactive metabolites that confer disease resilience. Probiotics’ therapeutic potential hinges on their metabolome altering ability; however, characterizing probiotics’ metabolic activity remains a formidable task. In order to solve this problem, an artificial model of the human gastrointestinal tract is introduced coined the ABIOME (A Bioreactor Imitation of the Microbiota Environment) and used to predict probiotic formulations’ metabolic activity and hence therapeutic potential with machine learning tools. The ABIOME is a modular yet dynamic system with real-time monitoring of gastrointestinal conditions that support complex cultures representative of the human microbiota and its metabolome. The fecal-inoculated ABIOME was supplemented with a polyphenol-rich prebiotic and combinations of novel probiotics that altered the output of bioactive metabolites previously shown to invoke anti-inflammatory effects. To dissect the synergistic interactions between exogenous probiotics and the autochthonous microbiota a multivariate adaptive regression splines (MARS) model was implemented towards the development of optimized probiotic combinations with therapeutic benefits. Using this algorithm, several probiotic combinations were identified that stimulated synergistic production of bioavailable metabolites, each with a different therapeutic capacity. Based on these results, the ABIOME in combination with the MARS algorithm could be used to create probiotic formulations with specific therapeutic applications based on their signature metabolic activity.

Scientific Reports 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 C8H14O2, Formula: C8H8O3.

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

Dow, Robert L. published the artcileDiscovery of 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one (PF-514273), a Novel, Bicyclic Lactam-Based Cannabinoid-1 Receptor Antagonist for the Treatment of Obesity, SDS of cas: 371-99-3, the publication is Journal of Medicinal Chemistry (2009), 52(9), 2652-2655, database is CAplus and MEDLINE.

The design, synthesis, and structure-activity relationships of novel bicyclic lactams I (R¹ = 2-ClC₆H₄; R² = 4-ClC₆H₄; R³ = H, Et, i-Pr, i-Bu, cyclopentyl, CH₂CF₂Me, etc.) and II (R⁴ = H, i-Pr, CH₂CF₃, CH₂CF₂Me, CH₂CF₂Et) as cannabinoid type 1 (CB₁) receptor antagonists is described. Members of these series are potent, selective antagonists in in vitro/in vivo efficacy models of CB₁ antagonism and exhibit robust oral activity in rodent models of food intake. These efforts led to the identification of II (R⁴ = CH₂CF₂Me), which has been advanced to human clin. trials for weight management.

Journal of Medicinal Chemistry published new progress about 371-99-3. 371-99-3 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2-((2,2,2-Trifluoroethyl)amino)ethanol, and the molecular formula is C4H8F3NO, SDS of cas: 371-99-3.

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

Islam, Koushikul published the artcileStructural Modifications and Biological Evaluations of Rift Valley Fever Virus Inhibitors Identified from Chemical Library Screening, Recommanded Product: 2-Morpholinoethanol, the publication is ACS Omega (2022), 7(8), 6854-6868, database is CAplus and MEDLINE.

The Rift Valley fever virus (RVFV) is an emerging high-priority pathogen endemic in Africa with pandemic potential. There is no specific treatment or approved antiviral drugs for the RVFV. We previously developed a cell-based high-throughput assay to screen small mols. targeting the RVFV and identified a potential effective antiviral compound (1-N-(2-(biphenyl-4-yloxy)ethyl)propane-1,3-diamine) as a lead compound Here, we investigated how structural modifications of the lead compound affected the biol. properties and the antiviral effect against the RVFV. We found that the length of the 2-(3-aminopropylamino)ethyl chain of the compound was important for the compound to retain its antiviral activity. The antiviral activity was similar when the 2-(3-aminopropylamino)ethyl chain was replaced with a Bu piperazine chain. However, we could improve the cytotoxicity profile of the lead compound by changing the Ph piperazine linker from the para-position (compound 9a) to the meta-position (compound 13a). Results from time-of-addition studies suggested that compound 13a might be active during virus post-entry and/or the replication phase of the virus life cycle and seemed to affect the K⁺ channel. The modifications improved the properties of our lead compound, and our data suggest that 13a (I) is a promising candidate to evaluate further as a therapeutic agent for RVFV infection.

ACS Omega 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, Recommanded Product: 2-Morpholinoethanol.

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

Gadre, Dhanesh published the artcileEndotoxin reduction in protein solutions using octyl β-D-1-thioglucopyranoside wash on chromatography media, Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, the publication is Journal of Chromatography A (2018), 49-58, database is CAplus and MEDLINE.

Endotoxins are complex mols. and one of the most challenging impurities requiring separation in biopharmaceutical protein purification processes. Usually these contaminants are cleared during the downstream process, but if endotoxin interacts with the target protein it becomes difficult to remove. In the present study we identified a detergent, octyl-β-D-1-thioglucopyranoside (OTG), that disrupted endotoxin-protein interactions. The integration of this detergent into washes on several chromatog. media was demonstrated to provide a separation tool for decreasing endotoxin from target proteins. This study also examined the mechanism of OTG endotoxin-protein disruption through phase modification incubation and chromatog. studies. The non-ionic OTG wash was shown to break both hydrophobic and electrostatic interactions between the endotoxin and protein. This mechanism contrasts with the breaking of hydrophobic interactions by washing with known endotoxin decreasing Triton X-100 detergent. The difference in mechanisms likely results in the ability of OTG to decrease endotoxin to levels less than those resulting from a detergent wash such as Triton X-100. Finally, we show the impact of the OTG endotoxin removal tool on the biopharmaceutical industry. While maintaining monomer purity and activity levels, endotoxin removal from a fusion protein allowed for decreased background levels in a T cell functional assay. The lowered baseline of T cell responses allowed for more effective detection of mol. interaction with the cells. The detergent wash can be used to both decrease the overall level of endotoxin in a purified protein solution and to enable more effective screening of lead candidate mols.

Journal of Chromatography A published new progress about 85618-21-9. 85618-21-9 belongs to alcohols-buliding-blocks, auxiliary class Tetrahydropyran,Chiral,sulfides,Alcohol, name is (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C14H28O5S, Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol.

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

Larson, Nicholas R. published the artcileToxicology of potassium channel-directed compounds in mosquitoes, Category: alcohols-buliding-blocks, the publication is NeuroToxicology (2017), 214-223, database is CAplus and MEDLINE.

Potential targets for new vector control insecticides are nerve and muscle potassium channels. In this study, the activities of known potassium channel blockers (4-aminopyridine, quinidine, and tetraethylammonium) and the insecticide propoxur were compared to three exptl. catechols and several other compounds against Anopheles gambiae and Aedes aegypti mosquitoes. Exptl. catechol 1 was the most toxic exptl. compound in all of the mortality assays conducted, but was at least 100-fold and 39-fold less toxic than propoxur against Ae. aegypti and An. gambiae, resp. Injection treatment and synergist (piperonyl butoxide) bioassays found that catechol toxicity was not unduly impacted by cuticular transport or oxidative metabolism Electrophysiol. studies showed a decrease in amplitude of evoked muscle contractions, along with an increase in twitch duration at concentrations that increased basal muscle tension (mM). High concentration effects on basal muscle tension were matched by complete depolarization of the muscle membrane potential. Effects on muscle physiol. and blockage of Kv2.1 potassium channels in patch clamp experiments were generally consistent with in vivo toxicity, except for 4-aminopyridine, which suggest the involvement of other potassium channel subtypes. Extensive melanization of Anopheles larvae, but not Aedes larvae, occurred from exposure to catechol compounds Interaction with the phenol oxidase system within insects may be the cause of this melanization, but any contribution to toxicity requires further investigation.

NeuroToxicology published new progress about 1139-46-4. 1139-46-4 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 4-(2,4,4-Trimethylpentan-2-yl)benzene-1,2-diol, and the molecular formula is C14H22O2, Category: alcohols-buliding-blocks.

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

Salmon, Manuel published the artcileSubstituent effect on para-substituted N-phenylpyrrole monomers and their polyheterocyclic conductors, Quality Control of 23351-09-9, the publication is Journal of the Electrochemical Society (1984), 131(8), 1802-4, database is CAplus.

The electrochem. behavior of a variety of p-substituted N-phenylpyrrole monomers and their corresponding polymers was analyzed. The electron-attractive or electron-repulsive nature of each para group substituent was perceived in the pyrrole unit through the Ph ring and manifested in their oxidation potential values. Good linear correlations with Hammett σ⁺ constants were obtained.

Journal of the Electrochemical Society published new progress about 23351-09-9. 23351-09-9 belongs to alcohols-buliding-blocks, auxiliary class Pyrrole,Benzene,Alcohol, name is 4-(1H-Pyrrol-1-yl)phenol, and the molecular formula is C10H9NO, Quality Control of 23351-09-9.

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

Ibba, Francesco published the artcilePhotoinduced Multicomponent Synthesis of α-Silyloxy Acrylamides, an Unexplored Class of Silyl Enol Ethers, Recommanded Product: Triethylsilanol, the publication is Organic Letters (2018), 20(4), 1098-1101, database is CAplus and MEDLINE.

The photoinduced, multicomponent reaction of α-diazoketones, silanols, and isocyanides affords α-silyloxy acrylamides, formally derived from α-keto amides. The presence of a secondary amido group makes classic preparative methods for silyl enol ethers unfeasible in this case, while the mild conditions required by this photochem. approach allow their synthesis in good yields; moreover, the general structure can be easily modified by varying each component of the multicomponent reaction. Fine-tuning of the reaction conditions (i.e., solvents, radiation, additives) can be exploited to obtain complete Z selectivity. The reactivity of this overlooked class of silyl enol ethers has been investigated, and features that could pave the way to new applications have been found.

Organic Letters published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C6H16OSi, Recommanded Product: Triethylsilanol.

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

Ibba, Francesco published the artcilePhotoinduced Multicomponent Synthesis of α-Silyloxy Acrylamides, an Unexplored Class of Silyl Enol Ethers, Synthetic Route of 17877-23-5, the publication is Organic Letters (2018), 20(4), 1098-1101, database is CAplus and MEDLINE.

The photoinduced, multicomponent reaction of α-diazoketones, silanols, and isocyanides affords α-silyloxy acrylamides, formally derived from α-keto amides. The presence of a secondary amido group makes classic preparative methods for silyl enol ethers unfeasible in this case, while the mild conditions required by this photochem. approach allow their synthesis in good yields; moreover, the general structure can be easily modified by varying each component of the multicomponent reaction. Fine-tuning of the reaction conditions (i.e., solvents, radiation, additives) can be exploited to obtain complete Z selectivity. The reactivity of this overlooked class of silyl enol ethers has been investigated, and features that could pave the way to new applications have been found.

Organic Letters published new progress about 17877-23-5. 17877-23-5 belongs to alcohols-buliding-blocks, auxiliary class Protection and Derivatization Reagent, name is Triisopropylsilanol, and the molecular formula is C9H22OSi, Synthetic Route of 17877-23-5.

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

Bergamaschi, Enrico published the artcileStereoselective Synthesis of 3,5-Dihydroxypyrrolidin-2-ones Through a Photoinduced Multicomponent Reaction Followed by Dimerization, Application In Synthesis of 597-52-4, the publication is European Journal of Organic Chemistry (2019), 2019(34), 5992-5997, database is CAplus.

A photoinduced reaction between diazoketones, isocyanides and silanols, followed by aldol dimerization of the resulting multicomponent adduct, affords polyfunctionalized 3,5-dihydroxypyrrolidin-2-one heterocycles in a straightforward manner. Six new bonds and two quaternary carbons are formed in just two steps with this complexity-generating methodol. A high degree of stereoselectivity is also observed, as a result of the mild conditions employed. Moreover, the 3,5-dihydroxypyrrolidin-2-one scaffold can be found in two families of biol. relevant natural products, namely anchinopeptolides and eusynstyelamides. The synthetic approach herein described appears to be a very convenient route for the preparation of their analogs.

European Journal of Organic Chemistry published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C6H16OSi, Application In Synthesis of 597-52-4.

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

Winterton, Sarah E. published the artcileDiscovery of Cytochrome P450 4F11 Activated Inhibitors of Stearoyl Coenzyme A Desaturase, Product Details of C11H8O3, the publication is Journal of Medicinal Chemistry (2018), 61(12), 5199-5221, database is CAplus and MEDLINE.

Stearoyl-CoA desaturase (SCD) catalyzes the first step in the conversion of saturated fatty acids to unsaturated fatty acids. Unsaturated fatty acids are required for membrane integrity and for cell proliferation. For these reasons, inhibitors of SCD represent potential treatments for cancer. However, systemically active SCD inhibitors result in skin toxicity, which presents an obstacle to their development. We recently described a series of oxalic acid diamides that are converted into active SCD inhibitors within a subset of cancers by CYP4F11-mediated metabolism Herein, we describe the optimization of the oxalic acid diamides and related N-acyl ureas and an anal. of the structure-activity relationships related to metabolic activation and SCD inhibition.

Journal of Medicinal Chemistry published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C11H21BO2Si, Product Details of C11H8O3.

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