Day: October 18, 2021

Janetka, JW; Hopper, AT; Yang, ZP; Barks, J; Dhason, MS; Wang, QL; Sibley, LD in [Janetka, James W.] Washington Univ, Sch Med, Dept Biochem & Mol Biophys, St Louis, MO 63110 USA; [Barks, Jennifer; Dhason, Mary Savari; Wang, Qiuling; Sibley, L. David] Washington Univ, Sch Med, Dept Mol Microbiol, St Louis, MO 63110 USA; [Hopper, Allen T.; Yang, Ziping] Vyera Pharmaceut, New York, NY 10016 USA published Optimizing Pyrazolopyrimidine Inhibitors of Calcium Dependent Protein Kinase 1 for Treatment of Acute and Chronic Toxoplasmosis in 2020, Cited 56. Name: 3-(Trifluoromethyl)phenol. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9.

Calcium dependent protein kinase 1 (CDPK1) is an essential Ser/Thr kinase that controls invasion and egress by the protozoan parasite Toxoplasma gondii. The Gly gatekeeper of CDPK1 makes it exquisitely sensitive to inhibition by small molecule 1H-pyrazolo[3,4-d]pyrimidine-4-amine (PP) compounds that are bulky ATP mimetics. Here we rationally designed, synthesized, and tested a series of novel PP analogs that were evaluated for inhibition of CDPK1 enzyme activity in vitro and parasite growth in cell culture. Optimal substitution on the PP scaffold included 2-pyridyl ethers directed into the hydrophobic pocket and small carbocyclic rings accessing the ribose-binding pocket. Further optimization of the series led to identification of the lead compound 3a that displayed excellent potency, selectivity, safety profile, and efficacy in vivo. The results of these studies provide a foundation for further work to optimize CDPK1 inhibitors for the treatment of acute and chronic toxoplasmosis.

Name: 3-(Trifluoromethyl)phenol. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Janetka, JW; Hopper, AT; Yang, ZP; Barks, J; Dhason, MS; Wang, QL; Sibley, LD or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Recommanded Product: 99-93-4. In 2020.0 SCI CHINA CHEM published article about SP(3) C-H; 3 DIFFERENT KINDS; METAL-FREE; CONSTRUCTION; EFFICIENT; CATALYSIS; PORES; BONDS; FUNCTIONALIZATION; CRYSTALLINITY in [Liao, Qiaobo; Xu, Wentao; Huang, Xin; Ke, Can; Zhang, Qi; Xi, Kai; Xie, Jin] Nanjing Univ, Sch Chem & Chem Engn, State Key Lab Coordinat Chem, Jiangsu Key Lab Adv Organ Mat, Nanjing 210023, Peoples R China in 2020.0, Cited 75.0. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4.

Three unprecedented 2D [4+3] covalent organic frameworks (TTCOF-1, TTCOF-2, and TTCOF-3) have been prepared by substoichiometric condensation of tetratopic and tritopic monomers, overcoming the limitations of the design rules of conventional topologies. By reticulating the tetraphenylethylene (TPE)-based and triazine-based moieties into COF frameworks, novel electron donor-acceptor (D-A) type structures were obtained. These TTCOFs have good photocatalytic activity in aerobic C(sp(3))-H bond functionalization and arylboronic acid oxidation driven by visible light, with yields up to 94%. This can expedite possibilities of COFs with new structural and topological complexities and can also expand the application of COF-based photocatalysis in synthetic chemistry.

About 4′-Hydroxyacetophenone, If you have any questions, you can contact Liao, QB; Xu, WT; Huang, X; Ke, C; Zhang, Q; Xi, K; Xie, J or concate me.. Recommanded Product: 99-93-4

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

In 2019.0 J AM CHEM SOC published article about COVALENT POLYMER NETWORKS; SILICA in [He, Changfei; Shi, Shaowei; Wang, Dong; Russell, Thomas P.] Beijing Univ Chem Technol, Beijing Adv Innovat Ctr Soft Matter Sci & Engn, Beijing 100029, Peoples R China; [He, Changfei; Shi, Shaowei; Wang, Dong; Russell, Thomas P.] Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China; [Helms, Brett A.] Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA; [Russell, Thomas P.] Univ Massachusetts, Polymer Sci & Engn Dept, Amherst, MA 01003 USA; [Russell, Thomas P.] Lawrence Berkeley Natl Lab, Mat Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA in 2019.0, Cited 34.0. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4. Recommanded Product: 4′-Hydroxyacetophenone

Vitrimers are network polymers that undergo associative bond exchange reactions in the condensed phase above a threshold temperature, dictated by the exchangeable bonds comprising the vitrimer. For vitrimers, chemistries reliant on poorly nudeophilic bond exchange partners (e.g., hydroxy-functionalized alkanes) or poorly electrophilic exchangeable bonds, catalysts are required to lower the threshold temperature, which is undesirable in that catalyst leaching or deactivation diminishes its influence over time and may compromise reuse. Here we show how to access catalyst-free bond exchange reactions in catalyst-dependent polyester vitrimers by obviating conventional ester bonds in favor of oxime-esters. Poly(oxime-ester) (POE) vitrimers are synthesized using thiol-ene click chemistry, affording high stretchability and malleability. POE vitrimers are readily recycled with little degradation of their initial mechanical properties, suggesting exciting opportunities for sustainable plastics.

Recommanded Product: 4′-Hydroxyacetophenone. About 4′-Hydroxyacetophenone, If you have any questions, you can contact He, CF; Shi, SW; Wang, D; Helms, BA; Russell, TP or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

In 2020 J PHARM HEALTH CARE published article about SEASONAL INFLUENZA; DURATION; OSELTAMIVIR; RISK in [Umemura, Takumi; Kawamura, Takato; Saito, Masayuki; Mizuno, Takahito; Ota, Aiko; Kozaki, Koji; Yamada, Tetsuya] Tosei Gen Hosp, Dept Pharm, 160 Nishi Oiwakecho, Seto, Aichi 4898642, Japan; [Umemura, Takumi; Mutoh, Yoshikazu; Ichihara, Toshihiko] Tosei Gen Hosp, Dept Infect & Prevent, 160 Nishi Oiwakecho, Seto, Aichi 4898642, Japan; [Ikeda, Yoshiaki] Kinjo Gakuin Univ, Coll Pharm, Moriyama Ku, 2-1723 Omori, Nagoya, Aichi 4638521, Japan in 2020, Cited 20. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Formula: C7H5F3O

Background Baloxavir marboxil (baloxavir) is a new anti-influenza virus agent that is comparable to oseltamivir phosphate (oseltamivir). Since the efficacy of baloxavir in preventing household transmission of influenza is not well established, we compared the secondary household influenza virus transmission rates between patients on baloxavir vs oseltamivir. Methods Between October 2018 and March 2019, we enrolled index patients (diagnosed with influenza and treated with baloxavir or oseltamivir) and household members. The secondary attack rate of household members was compared between index patients treated with baloxavir vs oseltamivir. Risk factors of household transmission were determined using multivariate logistic analyses. Results In total, 169 index patients with influenza type A were enrolled. The median age was 27.0 (interquartile range; 11-57) years. The number of index patients treated with baloxavir and oseltamivir was 49 and 120, respectively. The secondary attack rate was 9.0% (95% confidence interval [CI]: 4.6-15.6) in the baloxavir group and 13.5% (95% CI: 9.8-17.9) in the oseltamivir group. In the multivariate analysis, independent risk factors were 0-6 years of age (odds ratio [OR] 2.78, 95% CI: 1.33-5.82,p < 0.01) and not being on baloxavir treatment. (OR: 0.63, 95% CI: 0.30-1.32,p = 0.22). Conclusion The household secondary attack rate of influenza was comparable in patients treated with baloxavir vs oseltamivir. Therefore, baloxavir can be used as an alternative therapy to oseltamivir in reducing household transmission of influenza. Formula: C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Umemura, T; Mutoh, Y; Kawamura, T; Saito, M; Mizuno, T; Ota, A; Kozaki, K; Yamada, T; Ikeda, Y; Ichihara, T or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Diarnanti, KS; Alygizakis, NA; Nika, MC; Oswaldova, M; Oswald, P; Thomaidis, NS; Slobodnik, J in SPRINGER HEIDELBERG published article about HEAVY-METALS; WATER; METABOLITES; PHARMACEUTICALS; IDENTIFICATION; TRANSFORMATION; PESTICIDES; TOXICITY; PRODUCTS; SUPPORT in [Diarnanti, Konstantina S.; Alygizakis, Nikiforos A.; Nika, Maria-Christina; Thomaidis, Nikolaos S.] Natl & Kapodistrian Univ Athens, Dept Chem, Lab Analyt Chem, Athens 15771, Greece; [Alygizakis, Nikiforos A.; Oswaldova, Martina; Oswald, Peter; Slobodnik, Jaroslav] Environm Inst, Okruzna 784-42, Kos 97241, Slovakia in 2020, Cited 41. Product Details of 80-59-1. The Name is (E)-2-Methylbut-2-enoic acid. Through research, I have a further understanding and discovery of 80-59-1

The quality of the Dniester River Basin has been seriously impacted by the chemicals released by agriculture, industry, and wastewater discharges. To assess its current chemical pollution status, a transboundary monitoring campaign was conducted in May 2019. Thirteen surface water, 13 sediment, and three biota samples were collected and analyzed using generic sample preparation methods for the determination of organic substances by liquid chromatography high-resolution mass spectrometry (LC-HRMS) and metals by inductively coupled plasma mass spectrometry (ICP-MS). Wide-scope target and suspect screening resulted in detection of Water Framework Directive (WFD) priority substances and emerging contaminants, whereas the raw data were stored in NORMAN Digital Sample Freezing Platform (DSFP) for future retrospective screening. Furthermore, risk assessment was performed to prioritize detected substances and propose a draft list of river basin-specific pollutants. All studied metals (As, Hg, Zn, Cu, Cr, Cd, Pb, Ni) were detected in the surface water and sediments. In total, 139 organic contaminants belonging to various chemical classes (pesticides, pharmaceuticals, drugs of abuse, stimulants, sweeteners, industrial chemicals, and their transformation products) were detected. The highest cumulative concentration of contaminants was observed in surface water from the Byk River, a tributary of the Dniester (Moldova). Concentrations of WFD priority substances diuron and mercury and EU Watch List neonicotinoid compounds imidacloprid and thiamethoxam exceeded their environmental quality standards (EQS), whereas concentrations of 23 emerging substances exceeded their predicted no-effect concentration (PNEC) at minimum one site. Emerging contaminants telmisartan, metolachlor, terbuthylazine, and 4-acetamidoantipyrine were prioritized as potential river basin-specific pollutants. Graphical abstract

Product Details of 80-59-1. About (E)-2-Methylbut-2-enoic acid, If you have any questions, you can contact Diarnanti, KS; Alygizakis, NA; Nika, MC; Oswaldova, M; Oswald, P; Thomaidis, NS; Slobodnik, J or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Formation of furo[3,2-c]quinolone-2-carbonitriles and 4-oxo-4,5-dihydrofuro[3,2-c]quinolone-2-carboxamides from reaction of quinoline-2,4-diones with 2-[bis(methylthio)methylene]malononitrile WOS:000513256900009 published article about DERIVATIVES; INHIBITORS; FUROQUINOLINE; ALKALOIDS; MODEL in [Aly, Ashraf A.; Mohamed, Asmaa H.] Menia Univ, Fac Sci, Chem Dept, El Minia 61519, Egypt; [Ishak, Esam] Al Azhar Univ, Fac Sci, Dept Chem, Assiut, Egypt; [Ishak, Esam] Jouf Univ, Coll Sci & Arts, Dept Chem, Alquurrayate, Saudi Arabia; [Shwaky, Ahmed M.] Umm Al Qura Univ, STU, Mecca, Saudi Arabia in 2020, Cited 31. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3. Computed Properties of C9H7NO2

Quinoline-2,4-diones reacted with 2-[bis(methylthio)methylene]malononitrile in DMF/Et3N to produce 3-(methylthio)-4-oxo-4,5-dihydrofuro[3,2-c]quinolone-2-carbonitriles and 3-(methylthio)-4-oxo-4,5-dihydrofuro[3,2-c]quinolone-2-carboxamides in state of 2-imino-substituted 4-(methylthio)-5,6-dihydro-2H-pyrano[3,2-c]quinolone-3-carbonitriles. The structures of all new products were proved using NMR, IR, and mass spectral data. The possible mechanism for the reaction is also discussed. Graphic abstract

About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Aly, AA; Ishak, E; Shwaky, AM; Mohamed, AH or concate me.. Computed Properties of C9H7NO2

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Computed Properties of C7H8O. Recently I am researching about LAYER STRUCTURE PRESERVATION; BRONSTED ACID SITES; MFI ZEOLITE; NANOSHEETS; MWW; EXFOLIATION; SELECTIVITY; PRECURSORS; MEMBRANES; MCM-36, Saw an article supported by the China Scholarship CouncilChina Scholarship Council; U.S. National Science FoundationNational Science Foundation (NSF) [CBET-1706059]; Catalysis Center for Energy Innovation – U.S. Department of Energy, Office of Science, Office of Basic Energy SciencesUnited States Department of Energy (DOE) [DE-SC0001004]; Maryland NanoCenter and its NispLab; NSF as an MRSEC Shared Experimental Facility. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Wei, L; Song, KC; Wu, W; Holdren, S; Zhu, GH; Shulman, E; Shang, WJ; Chen, HY; Zachariah, MR; Liu, DX. The CAS is 100-51-6. Through research, I have a further understanding and discovery of Benzyl Alcohol

Two-dimensional (2D) layered zeolites are new forms of 3D zeolite frameworks. They can be pillared to form more open porous structures with increased access for reactants that are too big for the micropores of zeolites. The current pillaring procedure, however, requires intercalation of pillaring precursors by dispersing 2D zeolite in an alkoxide liquid and hydrolizing entrapped alkoxide to form inorganic oxide pillars in an aqueous alkaline solution. Both steps use excess solvents, generate significant waste, and require multiple synthesis and separation steps. Here we report a vapor-phase pillarization (VPP) process to produce pillared zeolites from 2D layered zeolite structures. The VPP process has similar to 100% efficiency of alkoxide usage in the intercalation step, requires less (and, in some cases, zero) water addition in the hydrolysis step, does not require separation for product recovery, and generates no liquid waste. Furthermore, synthesis of pillared zeolites via the VPP process can be accomplished within a single apparatus with one-time operation. The pillared zeolite prepared by the VPP method preserved the zeolitic layered structure as well as acidity and showed enhancement in catalytic alkylation of mesitylene with benzyl alcohol compared to 2D layered zeolite without pillarization treatment.

Computed Properties of C7H8O. About Benzyl Alcohol, If you have any questions, you can contact Wei, L; Song, KC; Wu, W; Holdren, S; Zhu, GH; Shulman, E; Shang, WJ; Chen, HY; Zachariah, MR; Liu, DX or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Identification of 4-anilino-6-aminoquinazoline derivatives as potential MERS-CoV inhibitors WOS:000576785800014 published article about RESPIRATORY SYNDROME CORONAVIRUS; DISCOVERY in [Lee, Jun Young; Shin, Young Sup; Kwon, Sunoh; Jin, Young-hee; Jang, Min Seong; Song, Jong Hwan; Kim, Hyoung Rae; Park, Chul Min] Korea Res Inst Chem Technol, Ctr Convergent Res Emerging Virus Infect CEVI, 141 Gajeong Ro, Daejeon 34114, South Korea; [Lee, Jihye; Kim, Seungtaek] Inst Pasteur Korea, Zoonot Virus Lab, Seongnam Si 13488, Gyeonggi Do, South Korea; [Kwon, Sunoh] Korea Inst Oriental Med, Herbal Med Res Div, Daejeon 34054, South Korea; [Jin, Young-hee] Korea Inst Oriental Med, KM Applicat Ctr, Daegu 41062, South Korea; [Jang, Min Seong] Korea Inst Toxicol, Dept Nonclin Studies, Daejeon 34114, South Korea in 2020.0, Cited 19.0. Quality Control of 3-Hydroxybenzaldehyde. The Name is 3-Hydroxybenzaldehyde. Through research, I have a further understanding and discovery of 100-83-4

New therapies for treating coronaviruses are urgently needed. A series of 4-anilino-6-aminoquinazoline derivatives were synthesized and evaluated to show high anti-MERS-CoV activities. N-4-(3-Chloro-4-fluorophenyl)-N-6-(3-methoxybenzyl)quinazoline-4,6-diamine (1) has been identified in a random screen as a hit compound for inhibiting MERS-CoV infection. Throughout optimization process, compound 20 was found to exhibit high inhibitory effect (IC50 = 0.157 mu M, SI = 25) with no cytotoxicity and moderate in vivo PK properties.

About 3-Hydroxybenzaldehyde, If you have any questions, you can contact Lee, JY; Shin, YS; Lee, J; Kwon, S; Jin, YH; Jang, MS; Kim, S; Song, JH; Kim, HR; Park, CM or concate me.. Quality Control of 3-Hydroxybenzaldehyde

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Category: indole-building-block. Yoshida, K; Yamamoto, T; Tajima, K; Isono, T; Satoh, T in [Isono, Takuya; Satoh, Toshifumi] Hokkaido Univ, Grad Sch Chem Sci & Engn, Sapporo, Hokkaido 0808628, Japan; Hokkaido Univ, Fac Engn, Sapporo, Hokkaido 0808628, Japan published Installing a functional group into the inactive omega-chain end of PMMA and PS-b-PMMA by terminal-selective transesterification in 2019.0, Cited 52.0. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6.

Polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) has been widely used as a nanotemplate material for the block copolymer lithography. Thus, development of a simple method to functionalize the inherently inactive PS-b-PMMA is of considerable interest to expand its potential applications. Herein, we demonstrate that titanium alkoxide-catalyzed transesterification can be a versatile chain-end functionalization method for proton-terminated PS-b-PMMA. Starting from anionically synthesized PMMA and PS-b-PMMA, the ester-side chain of the MMA unit at the omega-chain end was selectively transesterified in the presence of various alcohols with the aid of the corresponding titanium alkoxides to yield the end-functionalized PMMAs and PS-b-PMMAs. A wide range of alcohols containing various functional groups (e.g., alkyl chains, aromatic rings, and fluorocarbon chains) were utilized for terminal-selective transesterification. Clickable groups (e.g., pentafluorobenzyl and azido) were also successfully incorporated into the omega-terminal MMA unit, which serves as the reactive site for further modification. Importantly, even the hydroxy-functionalized polymer poly(ethylene glycol) monomethyl ether could be used for the terminal-selective transesterification of PS-b-PMMA, yielding a polystyrene-block-poly(methyl methacrylate)-block-poly(ethylene glycol) triblock terpolymer. The present transesterification system can be a powerful tool for chain-end functionalization of the inactive chain-end of PS-b-PMMA, providing insight into the effect of the chain-end structure on microphase separation behavior.

Category: indole-building-block. About Benzyl Alcohol, If you have any questions, you can contact Yoshida, K; Yamamoto, T; Tajima, K; Isono, T; Satoh, T or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Synthesis of Homoallylic Alcohols with Acyclic Quaternary Centers through Co-III-Catalyzed Three-Component C-H Bond Addition to Internally Substituted Dienes and Carbonyls WOS:000479782900001 published article about ENANTIOSELECTIVE SYNTHESIS; STEREOGENIC CENTERS; FUNCTIONALIZATION; STEREOCENTERS; SYSTEMS; CONSTRUCTION; ACTIVATION in [Sun Dongbang; Shen, Zican; Ellman, Jonathan A.] Yale Univ, Dept Chem, 225 Prospect St, New Haven, CT 06520 USA in 2019.0, Cited 49.0. Application In Synthesis of 3-Hydroxybenzaldehyde. The Name is 3-Hydroxybenzaldehyde. Through research, I have a further understanding and discovery of 100-83-4

An efficient Co-III-catalyzed three-component strategy to prepare homoallylic alcohols containing acyclic quaternary centers is disclosed. This transformation enables the introduction of two C-C sigma bonds through C-H bond activation and sequential addition to internally substituted dienes and a wide range of aldehydes and activated ketones. Isoprene and other internally monosubstituted dienes are effective inputs, with the reaction proceeding with high diastereoselectivity for those substrate combinations that result in more than one stereogenic center. Moreover, the opposite relative stereochemistry can be achieved by employing 1,2-disubstituted dienes. A mechanism for the transformation is proposed based upon the relative stereochemistry of the products and studies with isotopically labeled starting materials.

Application In Synthesis of 3-Hydroxybenzaldehyde. About 3-Hydroxybenzaldehyde, If you have any questions, you can contact Sun, DB; Shen, ZC; Ellman, JA or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles