Category: 112-63-0

Balaramnavar, Vishal M.; Ahmad, Khurshid; Saeed, Mohd; Ahmad, Irfan; Kamal, Mehnaz; Jawed, Talaha published the artcile< Pharmacophore-based approaches in the rational repurposing technique for FDA approved drugs targeting SARS-CoV-2 Mpro>, Related Products of 112-63-0, the main research area is SARS CoV2 bambuterol acetophenazine repurposing pharmacophore.

Novel coronavirus (CoV) is the primary etiol. virus responsible for the pandemic that started in Wuhan in 2019-2020. This viral disease is extremely prevalent and has spread around the world. Preventive steps are restricted social contact and isolation of the sick individual to avoid person-to-person transmission. There is currently no cure available for the disease and the search for novel medications or successful therapeutics is intensive, time-consuming, and laborious. An effective approach in managing this pandemic is to develop therapeutically active drugs by repurposing or repositioning existing drugs or active mols. In this work, we developed a feature-based pharmacophore model using reported compounds that inhibit SARS-CoV-2. This model was validated and used to screen the library of 565 FDA-approved drugs against the viral main protease (Mpro), resulting in 66 drugs interacting with Mpro with higher binding scores in docking experiments than drugs previously reported for the target diseases. The study identified drugs from many important classes, viz. D2 receptor antagonist, HMG-CoA inhibitors, HIV reverse transcriptase and protease inhibitors, anticancer agents and folate inhibitors, which can potentially interact with and inhibit the SARS-CoV-2 Mpro. This validated approach may help in finding the urgently needed drugs for the SARS-CoV-2 pandemic with infinitesimal chances of failure.

RSC Advances published new progress about Anticoronaviral agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Murphy, Chris L.; Hall, Aaron; Roberts, Emily J.; Ryan, Matthew D.; Clary, Jacob W.; Singaram, Bakthan published the artcile< Preparation and reactions of 4-iodobutyl pinacolborate. Synthesis of substituted alkyl and aryl pinacolboronates via 4-iodobutyl pinacolborate utilizing tetrahydrofuran as the leaving group>, COA of Formula: C19H34O2, the main research area is iodobutyl pinacolborate preparation reactivity; pinacol boronate substituted preparation.

Iodine reacts with 4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HBpin), under ambient reaction conditions in THF, to form the iodoalkylborate species 2-(4-iodobutoxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (4-IboxBpin). Apparently, one-half equivalent of I2 reacts with HBpin to form IBpin in pentanes, which in turn cleaves THF to form the 4-IboxBpin. Alkyl and aryl Grignard reagents, prepared under Barbier conditions, then react with 4-IboxBpin to form the corresponding alkyl and aryl pinacolboronates while reforming and liberating THF as the leaving group.

Tetrahedron Letters published new progress about Boronic acids, esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (pinacolboronates). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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

Chai, Ruihuan; Liao, Min; Ou, Ling; Tang, Qian; Liang, Youfang; Li, Nan; Huang, Wei; Wang, Xiao; Zheng, Kai; Wang, Shaoxiang published the artcile< Circadian clock genes act as diagnostic and prognostic biomarkers of glioma: clinic implications for chronotherapy>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is circadian clock gene chronotherapy diagnosis prognosis biomarker glioma.

Gliomas are the most common primary intracranial tumors and closely related to circadian clock. Due to the high mortality and morbidity of gliomas, exploring novel diagnostic and early prognostic markers is necessary. Circadian clock genes (CCGs) play important roles in regulating the daily oscillation of biol. processes and the development of tumor. Therefore, we explored the influences that the oscillations of circadian clock genes (CCGs) on diagnosis and prognosis of gliomas using bioinformatics. In this work, we systematically analyzed the rhythmic expression of CCGs in brain and found that some CCGs had strong rhythmic expression; the expression levels were significantly different between day and night. Four CCGs (ARNTL, NPAS2, CRY2, and DBP) with rhythmic expression were not only identified as differentially expressed genes but also had significant independent prognostic ability in the overall survival of glioma patients and were highly correlated with glioma prognosis in COX anal. Besides, we found that CCG-based predictive model demonstrated higher predictive accuracy than that of the traditional grade-based model; this new prediction model can greatly improve the accuracy of glioma prognosis. Importantly, based on the four CCGs�circadian oscillations, we revealed that patients sampled at night had higher predictive ability. This may help detect glioma as early as possible, leading to early cancer intervention. In addition, we explored the mechanism of CCGs affecting the prognosis of glioma. CCGs regulated the cell cycle, DNA damage, Wnt, mTOR, and MAPK signaling pathways. In addition, it also affects prognosis through gene coexpression and immune infiltration. Importantly, ARNTL can rhythmically modulated the cellular sensitivity to clinic drugs, temozolomide. The optimal point of temozolomide administration should be when ARNTL expression is highest, i.e., the effect is better at night. In summary, our study provided a basis for optimizing clinic dosing regimens and chronotherapy for glioma. The four key CCGs can serve as potential diagnostic and prognostic biomarkers for glioma patients, and ARNTL also has obvious advantages in the direction of glioma chronotherapy.

BioMed Research International published new progress about Adenoid cystic carcinoma. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Shan, Changli; Ning, Chuang; Lou, Jingjie; Xu, Wei; Zhang, Yingqiang published the artcile< Design and preparation of UV-curable waterborne polyurethane based on novel fluorinated chain extender>, Reference of 112-63-0, the main research area is UV curable waterborne polyurethane fluorine chain extender design preparation.

A series of UV-curable waterborne fluorinated polyurethane (UV-WFPU) were prepared successfully based on novel fluorinated side chain extender (F-TMP). The structure of F-TMP and particle size of UV-WFPU dispersions, contact angle (CA) and surface free energy, morphol., and damping property of UV-WFPU films were characterized through Fourier transform IR spectroscopy, nanoparticle size anal., contact angle test, scanning electron microscope and dynamic mech. anal. (DMA), resp. The results indicated that UV-WFPU dispersions had a particle size between 49.01 and 61.52 nm. The latex particle size and tan æœ?value of UV-WFPU films increased with the increase in F-TMP contents. The studies of surface properties confirmed that UV-WFPU films based on F-TMP had outstanding hydrophobicity properties. The highest CA of water and lowest surface free energy of UV-WFPU films reached 96.2æŽ?and 21.17 mJ/m2, resp. Meanwhile, the DMA results showed UV-WFPU films possessed great damping property which had the broad temperature range enhanced by F-TMP, with a maximum value at 190.4掳C. The results of mech. properties showed that the addition of fluorine increased in the tensile strength of the film. And these films have potential application values in the tech. fields of damping, anti-corrosion and dust prevention.

Polymer Bulletin (Heidelberg, Germany) published new progress about Anticorrosive coating materials. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Vielhaber, Thomas; Heizinger, Christian; Topf, Christoph published the artcile< Homogeneous pressure hydrogenation of quinolines effected by a bench-stable tungsten-based pre-catalyst>, Related Products of 112-63-0, the main research area is quinoline tungsten catalyst hydrogenation; tetrahydroquinoline preparation.

An operationally simple catalytic method for the tungsten-catalyzed hydrogenation of quinolines through the use of the easily handled and self-contained precursor [WCl(ç•?-Cp)(CO)3] were reported. This half sandwich complex is indefinitely storable on the bench in simple screw-capped bottles or stoppered flasks and can, if required, be prepared on a multi-gram scale while the actual catalytic transformations were performed in the presence of a Lewis acid in order to achieve both decent substrate conversions and product yields. The described method represents a facile and atom-efficient access to a variety of 1,2,3,4-tetrahydroquinolines that circumvents the use of cost-intensive and oxygen-sensitive phosphine ligands as well as auxiliary hydride reagents.

Journal of Catalysis published new progress about Hydrogenation. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Hu, Siwei; Huang, Biwu; Chen, Weiqing published the artcile< Synthesis of 1,1,3,3,5,5-hexamethyl-1,5-bis[(3-ethyl-3-methoxyoxetane)propyl]trisiloxane and Research on Its UV-curing Performance>, Quality Control of 112-63-0, the main research area is methoxyoxetane propyl trisiloxane preparation epoxy UV curing mech property.

A compound, 3-ethyl-3-hydroxymethyloxetane (EHO), was synthesized with di-Et carbonate and trihydroxypropane as raw materials, 3-ethyl-3-allylmethoxy oxetane (EAMO) was synthesized with EHO and allyl bromide, and 1,1,3,3,5,5-hexamethyl-1,5-bis[(3-ethyl-3-methoxyoxetane)propyl]trisiloxane (HMBEMOPTS) was synthesized with EAMO and 1,1,3,3,5,5-hexamethyltrisiloxane (HMTS). HMBEMOPTS is a novel UV-curable oligomer. The test of photo-DSC shows the photosensitivity of HMBEMOPTS is better than the ordinary oxetane, 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane. HMBEMOPTS was mixed with bisphenol A type epoxy resin E-51 to prepare a cationic UV-curable system, and triarylsulfonium hexafluoroantimonate (UV-6976) was used as a cationic photoinitiator. The mech. tests of coating films prove that when the mass fraction of HMBEMOPTS is 50%, the mech. properties of the curing system are the best. The impact strength of the UV-curable films is measured to be 40 kg-cm and the flexibility is 2 mm; the tensile strength and flexural strength of the prepared specimens are 20.74 MPa and 13.43 MPa, resp. The exptl. results show that HMBEMOPTS can effectively improve photosensitivity and flexibility of the photosensitive resin.

Journal of Wuhan University of Technology, Materials Science Edition published new progress about Bending strength. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Huang, Chen; Feng, Jie; Ma, Rui; Fang, Shuaishuai; Lu, Tao; Tang, Weifang; Du, Ding; Gao, Jian published the artcile< Redox-Neutral Borylation of Aryl Sulfonium Salts via C-S Activation Enabled by Light>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aryl sulfonium salt preparation photochem redox neutral borylation pinacolatodiboron; arylboronate ester preparation; methyl aryl thioether methylation methyl triflate.

Reported here is a novel photoinduced strategy for the borylation of aryl sulfonium salts using bis(pinacolato)diboron as the B source. This method exploits redox-neutral aryl sulfoniums to gain access to aryl radicals via C-S bond activation upon photoexcitation under transition-metal-free conditions. Therefore, it grants access to diverse arylboronate esters with good performance from easily available aryl sulfoniums accompanied by mild conditions, operational simplicity, and easy scalability.

Organic Letters published new progress about Boranes Role: SPN (Synthetic Preparation), PREP (Preparation) (arylboronate esters). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Li, Hongming; Wang, Yi; Tang, Liang; Deng, Li published the artcile< Highly Enantioselective Conjugate Addition of Malonate and å°?Ketoester to Nitroalkenes: Asymmetric C-C Bond Formation with New Bifunctional Organic Catalysts Based on Cinchona Alkaloids>, Synthetic Route of 112-63-0, the main research area is nitroester enantioselective preparation; gamma nitroester enantioselective prepare; hydroxyquinidine hydroxyquinuclidine catalyst Michael addition malonate acetoacetate nitroalkene; enantioselective Michael addition malonate nitroalkene hydroxyquinidine hydroxyquinuclidine catalyst; aryl heteroaryl alkyl nitroalkene enantioselective Michael addition malonate hydroxyquinidine; hydroxyquinine aryl heteroaryl alkyl nitroalkene enantioselective Michael addition malonate; rate dependence enantioselective Michael addition nitroalkene malonate hydroxyquinine; conjugate addition malonate ketoester nitroalkene cinchona alkaloid bifunctional catalyst; asym bond formation bifunctional organic catalyst cinchona alkaloid.

Quinine and quinidine derivatives such as I and II are prepared; in the presence of I or II, nitroalkanes (E)-RCH:CHNO2 (R = Ph, 4-FC6H4, 4-ClC6H4, 4-BrC6H4, 4-MeC6H4, 4-Me2CHC6H4, 4-MeOC6H4, 3-MeC6H4, 2-MeC6H4, 2-FC6H4, 2-O2NC6H4, 1-naphthyl, 2-thienyl, 2-furyl, 3-pyridinyl, BuCH2, Me2CHCH2, c-C6H11) undergo enantioselective addition reactions with di-Me malonate to provide either enantiomer of the nitroesters O2NCH2CHRCH(CO2Me)2 (III) (R = Ph, 4-FC6H4, 4-ClC6H4, 4-BrC6H4, 4-MeC6H4, 4-Me2CHC6H4, 4-MeOC6H4, 3-MeC6H4, 2-MeC6H4, 2-FC6H4, 2-O2NC6H4, 1-naphthyl, 2-thienyl, 2-furyl, 3-pyridinyl, BuCH2, Me2CHCH2, c-C6H11) in 71-99% yields and in 91-97% ee. Aryl, heteroaryl, and alkyl-substituted nitroalkenes give conjugate addition products in high yields and enantioselectivities. Cinchona alkaloids with a 6′-hydroxy group yield III with much higher enantioselectivities than those bearing 6′-methoxy groups; etherification of the secondary alc. of alkaloids such as I or II alters the enantioselectivity and yield of Michael addition reactions catalyzed by them minimally. The enantioselectivity of Michael additions catalyzed by I and II is attributed to bifunctional catalysis using both the 6′-hydroxy group and the quinuclidine amine moiety. Kinetic studies on the addition of di-Me malonate to III (R = Ph) in the presence of I indicate that the rate of reaction is first order in nitroalkene, di-Me malonate, and catalyst. Et acetoacetate undergoes conjugate addition to trans-å°?nitrostyrene III (R = Ph) to yield çº?nitro ester O2NCH2CHPhCHAcCO2Et as a 1:1 mixture of diastereomers at the ä¼?acetyl ester in 93% yield; both diastereomers are isolated in 91% ee.

Journal of the American Chemical Society published new progress about 1,3-Dicarbonyl compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Sandmark, Jenny; Tigerstroem, Anna; Akerud, Tomas; Althage, Magnus; Antonsson, Thomas; Blaho, Stefan; Bodin, Cristian; Bostroem, Jonas; Chen, Yantao; Dahlen, Anders; Eriksson, Per-Olof; Evertsson, Emma; Fex, Tomas; Fjellstroem, Ola; Gustafsson, David; Hersloef, Margareta; Hicks, Ryan; Jarkvist, Emelie; Johansson, Carina; Kalies, Inge; Svalstedt, Birgitta Karlsson; Kartberg, Fredrik; Legnehed, Anne; Martinsson, Sofia; Moberg, Andreas; Ridderstroem, Marianne; Rosengren, Birgitta; Sabirsh, Alan; Thelin, Anders; Vinblad, Johanna; Wellner, Annika U.; Xu, Bingze; Oestlund-Lindqvist, Ann-Margret; Knecht, Wolfgang published the artcile< Identification and analyses of inhibitors targeting apolipoprotein(a) kringle domains KIV-7, KIV-10, and KV provide insight into kringle domain function>, Related Products of 112-63-0, the main research area is preparation inhibitor targeting apolipoprotein kringle domain; Lp(a); X-ray crystallography; apo(a); apolipoprotein; apolipoprotein(a); cardiovascular disease; crystal structure; crystallography; drug design; drug discovery; low-density lipoprotein (LDL); small molecule inhibitor; surface plasmon resonance (SPR).

Increased plasma concentrations of lipoprotein(a) (Lp(a)) are associated with an increased risk for cardiovascular disease. Lp(a) is composed of apolipoprotein(a) (apo(a)) covalently bound to apolipoprotein B of low-d. lipoprotein (LDL). Many of apo(a)’s potential pathol. properties, such as inhibition of plasmin generation, have been attributed to its main structural domains, the kringles, and have been proposed to be mediated by their lysine-binding sites. However, available small-mol. inhibitors, such as lysine analogs, bind unselectively to kringle domains and are therefore unsuitable for functional characterization of specific kringle domains. Here, we discovered small mols. that specifically bind to the apo(a) kringle domains KIV-7, KIV-10, and KV. Chem. synthesis yielded compound AZ-05, which bound to KIV-10 with a Kd of 0.8渭M and exhibited more than 100-fold selectivity for KIV-10, compared with the other kringle domains tested, including plasminogen kringle 1. To better understand and further improve ligand selectivity, we determined the crystal structures of KIV-7, KIV-10, and KV in complex with small-mol. ligands at 1.6-2.1 è„?resolutions Furthermore, we used these small mols. as chem. probes to characterize the roles of the different apo(a) kringle domains in in vitro assays. These assays revealed the assembly of Lp(a) from apo(a) and LDL, as well as potential pathophysiol. mechanisms of Lp(a), including (i) binding to fibrin, (ii) stimulation of smooth-muscle cell proliferation, and (iii) stimulation of LDL uptake into differentiated monocytes. Our results indicate that a small-mol. inhibitor targeting the lysine-binding site of KIV-10 can combat the pathophysiol. effects of Lp(a).

Journal of Biological Chemistry published new progress about Apolipoprotein A Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Rezaei-Chiyaneh, Esmaeil; Battaglia, Martin Leonardo; Sadeghpour, Amir; Shokrani, Fahime; Nasab, Adel Dabbagh Mohammadi; Raza, Muhammad Ali; von Cossel, Moritz published the artcile< Optimizing Intercropping Systems of Black Cumin (Nigella sativa L.) and Fenugreek (Trigonella foenum-graecum L.) through Inoculation with Bacteria and Mycorrhizal Fungi>, Quality Control of 112-63-0, the main research area is Nigella Trigonella intercropping system bacteria mycorrhizal fungi biofertilizer.

This study evaluates the effects of intercropping patterns, plant growth-promoting rhizobacteria and arbuscular mycorrhizal fungi (AMF) on seed yield and yield components of black cumin (Nigella sativa L.) and fenugreek (Trigonella foenum-graecum L.), as well as the essential oil and fatty acid profile of black cumin. A two-year two-factorial field experiment was conducted in 2015 and 2016 to investigate intercropping of black cumin and fenugreek in five ratios and biofertilizer application as AMF and bacteria. Intercropping reveals higher concentrations of nitrogen and phosphorus compared with monocropping, whereas monocropping inoculated with bacteria shows the highest seed yield of both fenugreek (151 g m-2) and black cumin (148 g m-2). Regarding the quality of black cumin, the combination of a black cumin:fenugreek-intercropping pattern of 66:34 with bacteria fertilization is most promising, as it shows i) the maximum essential oil content, oil yield, and fixed oil content, ii) the highest contents of thymol and p-cymene, iii) the highest content of linoleic acid, and iv) the maximum land equivalent ratio. Conclusively, bacteria fertilization and black cumin:fenugreek-intercropping pattern of 66:34 helps improving essential oil, fixed oil quality, and quantity of black cumin, thus creating a more sustainable cultivation system for black cumin and fenugreek.

Advanced Sustainable Systems published new progress about Atmospheric precipitation. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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