Category: 623-50-7

Jiang, Haiwei; Yan, Rongwei; Cai, Chang; Chen, Xingfan; Zhao, Fenghua; Fan, Liangliang; Xu, Chunbao Charles; Yang, Weiran published the artcile< Hydrothermal liquefaction of Cd-enriched Amaranthus hypochondriacus L. in ethanol-water co-solvent: Focus on low-N bio-oil and heavy metal/metal-like distribution>, Computed Properties of 623-50-7 , the main research area is hydrothermal liquefaction cadmium amaranthus hypochondriacus; ethanol water nitrogen bio oil heavy metal.

The high nitrogen content in bio-oil from protein-rich biomass will cause the possible pollution problems by NOX emissions during combustion. In this study, Cd-enriched Amaranthus hypochondriacus L. (AHL) was treated by hydrothermal liquefaction (HTL) in ethanol-water co-solvent aiming to reduce the nitrogen content of the bio-oil. Besides, aqueous phase recycling (APR) was applied to achieve a higher bio-oil yield. HTL in ethanol-water co-solvent with APR three times resulted in the maximum bio-oil yield (47.26%) and greatly reduced the nitrogenous compounds content of bio-oil. During the APR process, the increase of total nitrogen (TN) content in the aqueous phase indicated that organic-N in the organic phase transformed into NH+4 to the aqueous phase. Acetic acid (13.87-22.37 mg/mL) was dominated in the aqueous phase, leading to a low pH value (6.27-5.29), which could serve as the possible catalyst for the HTL process during APR that can be the reason for the higher bio-oil yield. After the HTL process, Cr, Cu, Cd and Pb remained mostly in bio-char while As was present largely in the aqueous phase. Thus, this study demonstrated that the APR for HTL process in ethanol-water co-solvent can be a hopeful method to dispose the high-protein biomass for improved bio-oil yield and quality.

Fuel published new progress about Alcohols Role: TEM (Technical or Engineered Material Use), USES (Uses). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Computed Properties of 623-50-7 .

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

Nasiru, Mustapha Muhammad; Umair, Muhammad; Boateng, Evans Frimpong; Alnadari, Fawze; Khan, Kashif-ur Rehman; Wang, Zhaobin; Luo, Ji; Yan, Wenjing; Zhuang, Hong; Majrashi, Ali; Zhang, Jianhao; Korma, Sameh A. published the artcile< Characterisation of Flavour Attributes in Egg White Protein Using HS-GC-IMS Combined with E-Nose and E-Tongue: Effect of High-Voltage Cold Plasma Treatment Time>, Category: esters-buliding-blocks, the main research area is egg white protein cold plasma headspace gas chromatog; E-nose; E-tongue; PCA; PLS-DA; egg white protein; flavour; high-voltage cold plasma; volatile compounds.

Egg white protein (EWP) is susceptible to denaturation and coagulation when exposed to high temperatures, adversely affecting its flavor, thereby influencing consumers’ decisions. Here, we employ high-voltage cold plasma (HVCP) as a novel nonthermal technique to investigate its influence on the EWP’s flavor attributes using E-nose, E-tongue, and headspace gas-chromatog.-ion-mobilisation spectrometry (HS-GC-IMS) due to their rapidness and high sensitivity in identifying flavor fingerprints in foods. The EWP was investigated at 0, 60, 120, 180, 240, and 300 s of HVCP treatment time. The results revealed that HVCP significantly influences the odor and taste attributes of the EWP across all treatments, with a more significant influence at 60 and 120 s of HVCP treatment. Principal component analyses of the E-nose and E-tongue clearly distinguish the odor and taste sensors’ responses. The HS-GC-IMS anal. identified 65 volatile compounds across the treatments. The volatile compounds’ concentrations increased as the HVCP treatment time was increased from 0 to 300 s. The significant compounds contributing to EWP characterization include heptanal, ethylbenzene, ethanol, acetic acid, nonanal, heptacosane, 5-octadecanal, decanal, p-xylene, and octanal. Thus, this study shows that HVCP could be utilized to modify and improve the EWP flavor attributes.

Molecules published new progress about Cold plasmas (High-Voltage). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Category: esters-buliding-blocks.

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

Randolph, John T.; Voight, Eric A.; Greszler, Stephen N.; Uno, Brice E.; Newton, James N.; Gleason, Kenneth M.; Stolarik, DeAnne; Van Handel, Cecilia; Bow, Daniel A. J.; DeGoey, David A. published the artcile< Prodrug Strategies to Improve the Solubility of the HCV NS5A Inhibitor Pibrentasvir (ABT-530)>, Quality Control of 623-50-7 , the main research area is prodrug pibrentasvir solubility.

A research program to discover solubilizing prodrugs of the HCV NS5A inhibitor pibrentasvir (PIB) identified phosphomethyl analog 2 and trimethyl-lock (TML) prodrug 9. The prodrug moiety is attached to a benzimidazole nitrogen atom via an oxymethyl linkage to allow for rapid and complete release of the drug for absorption following phosphate removal by intestinal alk. phosphatase. These prodrugs have good hydrolytic stability properties and improved solubility compared to PIB, both in aqueous buffer (pH 7) and FESSIF (pH 5). TML prodrug 9 provided superior in vivo performance, delivering high plasma concentrations of PIB in PK studies conducted in mice, dogs, and monkeys. The improved dissolution properties of these phosphate prodrugs provide them the potential to simplify drug dosage forms for PIB-containing HCV therapy.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Quality Control of 623-50-7 .

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

Osminski, Wynter E. G.; Lu, Zhenjie; Zhao, Wenjun; Mohammadlou, Aliakbar; Yin, Xiaopeng; Matthews, Emily C.; Canestraight, Virginia M.; Staples, Richard J.; Allen, Connor J.; Hirschi, Jennifer S.; Wulff, William D. published the artcile< Probing Catalyst Function - Electronic Modulation of Chiral Polyborate Anionic Catalysts>, SDS of cas: 623-50-7 , the main research area is aziridine synthesis aziridiation electronic modulation chiral polyborate catalyst.

Boroxinate complexes of VAPOL and VANOL are a chiral anionic platform that can serve as a versatile staging arena for asym. catalysis. The structural underpinning of the platform is a chiral polyborate core that covalently links together alcs. (or phenols) and vaulted biaryl ligands. The polyborate platform is assembled in situ by the substrate of the reaction, and thus a multiplex of chiral catalysts can be rapidly assembled from various alcs. (or phenols) and bis-phenol ligands for screening of catalyst activity. In the present study, variations in the steric and electronic properties of the phenol/alc. component of the boroxinate catalyst are probed to reveal their effects on the asym. induction in the catalytic asym. aziridination reaction. A Hammett study is consistent with a mechanism in which the two substrates are hydrogen-bonded to the boroxinate core in the enantiogenic step. The results of the Hammett study are supported by a computational study in which it is found that the H-O distance of the protonated imine hydrogen bonded to the anionic boroxinate core decreases with an increase in the electron releasing ability of the phenol unit incorporated into the boroxinate. The results are not consistent with a mechanism in which the boroxinate catalyst functions as a Lewis acid and activates the imine by a Lewis acid/Lewis base interaction.

Journal of Organic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, SDS of cas: 623-50-7 .

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

Picado, Alfredo; Chaikuad, Apirat; Wells, Carrow I.; Shrestha, Safal; Zuercher, William J.; Pickett, Julie E.; Kwarcinski, Frank E.; Sinha, Parvathi; de Silva, Chandi S.; Zutshi, Reena; Liu, Shubin; Kannan, Natarajan; Knapp, Stefan; Drewry, David H.; Willson, Timothy M. published the artcile< A chemical probe for dark kinase STK17B derives its potency and high selectivity through a unique P-loop conformation>, Recommanded Product: Ethyl 2-hydroxyacetate, the main research area is human dark kinase STK17B probe selectivity P loop structure.

STK17B is a member of the death-associated protein kinase family and has been genetically linked to the development of diverse diseases. However, the role of STK17B in normal and disease pathol. is poorly defined. Here, we present the discovery of thieno[3,2-d] pyrimidine SGC-STK17B-1 (11s), a high-quality chem. probe for this understudied “”dark”” kinase. 11S is an ATP-competitive inhibitor that showed remarkable selectivity over other kinases including the closely related STK17A. X-ray crystallog. of 11s and related thieno[3,2-d]pyrimidines bound to STK17B revealed a unique P-loop conformation characterized by a salt bridge between R41 and the carboxylic acid of the inhibitor. Mol. dynamic simulations of STK17B revealed the flexibility of the P-loop and a wide range of R41 conformations available to the apo-protein. The isomeric thieno[2,3-d]pyrimidine SGC-STK17B-1N (19g) was identified as a neg. control compound The >100-fold lower activity of 19g on STK17B was attributed to the reduced basicity of its pyrimidine N1.

Journal of Medicinal Chemistry published new progress about Apoptosis. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Recommanded Product: Ethyl 2-hydroxyacetate.

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

Kim, Ho Shin; Hammill, Jared T.; Scott, Daniel C.; Chen, Yizhe; Rice, Amy L.; Pistel, William; Singh, Bhuvanesh; Schulman, Brenda A.; Guy, R. Kiplin published the artcile< Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M>, Product Details of C4H8O3, the main research area is carcinoma DCN1 UBE2M interaction inhibitors NEDD8 pharmacokinetic oral bioavailability.

The cullin-RING ubiquitin ligases (CRLs) are ubiquitin E3 enzymes that play a key role in controlling proteasomal degradation and are activated by neddylation. We previously reported inhibitors that target CRL activation by disrupting the interaction of defective in cullin neddylation 1 (DCN1), a CRL neddylation co-E3, and UBE2M, a neddylation E2. Our first-generation inhibitors possessed poor oral bioavailability and fairly rapid clearance that hindered the study of acute inhibition of DCN-controlled CRL activity in vivo. Herein, we report studies to improve the pharmacokinetic performance of the pyrazolo-pyridone inhibitors. The current best inhibitor, 40 (I), inhibits the interaction of DCN1 and UBE2M, blocks NEDD8 transfer in biochem. assays, thermally stabilizes cellular DCN1, and inhibits anchorage-independent growth in a DCN1 amplified squamous cell carcinoma cell line. Addnl., we demonstrate that a single oral 50 mg/kg dose sustains plasma exposures above the biochem. IC90 for 24 h in mice.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Product Details of C4H8O3.

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

Yasuno, Takumi; Ohe, Tomoyuki; Kataoka, Hiroki; Hashimoto, Kosho; Ishikawa, Yumiko; Furukawa, Keigo; Tateishi, Yasuhiro; Kobayashi, Toi; Takahashi, Kyoko; Nakamura, Shigeo; Mashino, Tadahiko published the artcile< Fullerene derivatives as dual inhibitors of HIV-1 reverse transcriptase and protease>, Electric Literature of 623-50-7 , the main research area is pyridinium fullerene preparation dual inhibitor HIV reverse transcriptase protease; piperidinium fullerene preparation dual inhibitor HIV reverse transcriptase protease; proline fullerene preparation dual inhibitor HIV reverse transcriptase protease; Fullerene; HIV protease; HIV reverse transcriptase.

In the present study, we newly synthesized three types of novel fullerene derivatives: pyridinium-type derivatives, piperidinium-type derivatives, and proline-type derivatives Among the assessed compounds, some were found to inhibit both HIV reverse transcriptase and HIV protease (HIV-PR), with IC50 values in the low micromolar range being observed Regarding HIV-PR inhibition activity, proline-type derivatives, bearing an alkyl chain between the hydroxylmethylcarbonyl (HMC) moiety and pyrrolidine ring, were more potent than other derivatives This result might indicate that connecting HMC moieties with proline-type fullerene derivatives through properly sized alkyl chain leads to improved HIV-PR inhibitory activity.

Bioorganic & Medicinal Chemistry Letters published new progress about AIDS (disease). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Electric Literature of 623-50-7 .

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

Eduful, Benjamin J.; O’Byrne, Sean N.; Temme, Louisa; Asquith, Christopher R. M.; Liang, Yi; Picado, Alfredo; Pilotte, Joseph R.; Hossain, Mohammad Anwar; Wells, Carrow I.; Zuercher, William J.; Catta-Preta, Carolina M. C.; Zonzini Ramos, Priscila; Santiago, Andre de S.; Counago, Rafael M.; Langendorf, Christopher G.; Nay, Kevin; Oakhill, Jonathan S.; Pulliam, Thomas L.; Lin, Chenchu; Awad, Dominik; Willson, Timothy M.; Frigo, Daniel E.; Scott, John W.; Drewry, David H. published the artcile< Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes>, HPLC of Formula: 623-50-7 , the main research area is CAMKK2 inhibitor chemotype probe signaling.

CAMKK2 is a serine/threonine kinase and an activator of AMPK whose dysregulation is linked with multiple diseases. Unfortunately, STO-609, the tool inhibitor commonly used to probe CAMKK2 signaling, has limitations. To identify promising scaffolds as starting points for the development of high-quality CAMKK2 chem. probes, we utilized a hinge-binding scaffold hopping strategy to design new CAMKK2 inhibitors. Starting from the potent but promiscuous disubstituted 7-azaindole GSK650934, a total of 32 compounds, composed of single-ring, 5,6-, and 6,6-fused heteroaromatic cores, were synthesized. The compound set was specifically designed to probe interactions with the kinase hinge-binding residues. Compared to GSK650394 and STO-609, 13 compounds displayed similar or better CAMKK2 inhibitory potency in vitro, while compounds 13g and 45 had improved selectivity for CAMKK2 across the kinome. Our systematic survey of hinge-binding chemotypes identified several potent and selective inhibitors of CAMKK2 to serve as starting points for medicinal chem. programs.

Journal of Medicinal Chemistry published new progress about Crystal structure. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, HPLC of Formula: 623-50-7 .

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

Tanaka, Hiroaki; Negoro, Kenji; Koike, Takanori; Tsukamoto, Issei; Yokoyama, Kazuhiro; Maeda, Jun; Inagaki, Yusuke; Shimoshige, Yukinori; Ino, Katsutoshi; Ishizu, Kenichiro; Takahashi, Taisuke published the artcile< Discovery and structure-activity relationships study of positive allosteric modulators of the M3 muscarinic acetylcholine receptor>, Reference of 623-50-7 , the main research area is muscle contraction mAChR PAMs SAR HTS pharmacokinetics allosteric enhancers; Allosteric enhancers; M(3) muscarinic acetylcholine receptor; Positive allosteric modulators.

The M3 muscarinic acetylcholine receptor (mAChR) is a member of the family of mAChRs, which are associated with a variety of physiol. functions including the contraction of various smooth muscle tissues, stimulation of glandular secretion, and regulation of a range of cholinergic processes in the central nerve system. We report here the discovery and a comprehensive structure-activity relationships (SARs) study of novel pos. allosteric modulators (PAMs) of the M3 mAChR through a high throughput screening (HTS) campaign. Compound 9(I) exhibited potent in vitro PAM activity towards the M3 mAChR and significant enhancement of muscle contraction in a concentration-dependent manner when applied to isolated smooth muscle strips of rat bladder. Compound 9 also showed excellent subtype selectivity over other subtypes of mAChRs including M1, M2, and M4 mAChRs, and moderate selectivity over the M5 mAChR, indicating that compound 9 is an M3-preferring M3/M5 dual PAM. Moreover, compound 9 displayed acceptable pharmacokinetics profiles after oral dosing to rats. These results suggest that compound 9 may be a promising chem. probe for the M3 mAChR for further investigation of its pharmacol. function both in vitro and in vivo.

Bioorganic & Medicinal Chemistry published new progress about High-throughput screening. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Reference of 623-50-7 .

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

Portnova, Svetlana V.; Yamshchikova, Yulia F.; Krasnykh, Eugene L.; Nikitin, Eugene D.; Popov, Alexander P.; Faizullin, Mars Z. published the artcile< Vapor Pressure, Vaporization Enthalpies, Critical Parameters, and Heat Capacities of Alkyl Glycolates>, HPLC of Formula: 623-50-7 , the main research area is vapor pressure vaporization enthalpy heat capacity alkyl glycolate.

Developing biotechnol. methods to produce glycolic acid and alkyl glycolates requires knowledge of thermophys. and thermodn. data. Vapor pressures of linear alkyl glycolates HO-CH2-COO-(CH2)n-H with n = 1-8 were determined by the transpiration method. Standard molar enthalpies of vaporization at exptl. temperature and at 298.15 K were derived from the temperature dependence of the vapor pressure. The critical temperatures and pressures of alkyl glycolates were measured by the pulse-heating method. The exptl. data were successfully checked for internal consistency. Molar heat capacity of atm. pressure for liquid esters was measured by the method of differential scanning calorimetry in the temperature range 303-423 K. The molar liquid heat capacities at 298.15 K and atm. pressure of alkyl glycolates were calculated from the result of this work. The measured values were used for estimating prediction capabilities of group-contribution methods by Constantinou and Gani, Marrero and Gani, and Hukkerikar et al. for critical properties and Chickos and Acree, Domalski and Hearing, and Ceriani et al. for heat capacity at 298.15 K. Results of this study could be used for the design and optimization of the chem. processes of the utilization of renewable feedstock.

Journal of Chemical & Engineering Data published new progress about Critical pressure. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, HPLC of Formula: 623-50-7 .

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