Day: December 15, 2021

Abouelela, ME; Assaf, HK; Abdelhamid, RA; Elkhyat, ES; Sayed, AM; Oszako, T; Belbahri, L; El Zowalaty, AE; Abdelkader, MSA in [Abouelela, Mohamed E.; Assaf, Hamdy K.; Abdelhamid, Reda A.; Elkhyat, Ehab S.] Al Azhar Univ, Fac Pharm, Dept Pharmacognosy, Assiut Branch, Assiut 71524, Egypt; [Sayed, Ahmed M.] Nanda Univ, Fac Pharm, Dept Pharmacognosy, Bani Suwayf 62513, Egypt; [Oszako, Tomasz] Forest Res Inst, Dept Forest Protect, PL-05090 Sekocin Stary, Poland; [Belbahri, Lassaad] Univ Neuchatel, Lab Soil Biol, CH-2000 Neuchatel, Switzerland; [El Zowalaty, Ahmed E.] Univ Gothenburg, Sahlgrenska Ctr Canc Res, Inst Clin Sci, Dept Surg, S-40530 Gothenburg, Sweden; [El Zowalaty, Ahmed E.] Univ Gothenburg, Wallenberg Ctr Mol & Translat Med, S-40530 Gothenburg, Sweden; [Abdelkader, Mohamed Salaheldin A.] Sohag Univ, Fac Pharm, Dept Pharmacognosy, Nasr City 82524, Sohag, Egypt published Identification of Potential SARS-CoV-2 Main Protease and Spike Protein Inhibitors from the Genus Aloe: An In Silico Study for Drug Development in 2021, Cited 182. Application In Synthesis of 4-Methoxybenzaldehyde. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5.

Severe acute respiratory syndrome coronavirus (SARS-CoV-2) disease is a global rapidly spreading virus showing very high rates of complications and mortality. Till now, there is no effective specific treatment for the disease. Aloe is a rich source of isolated phytoconstituents that have an enormous range of biological activities. Since there are no available experimental techniques to examine these compounds for antiviral activity against SARS-CoV-2, we employed an in silico approach involving molecular docking, dynamics simulation, and binding free energy calculation using SARS-CoV-2 essential proteins as main protease and spike protein to identify lead compounds from Aloe that may help in novel drug discovery. Results retrieved from docking and molecular dynamics simulation suggested a number of promising inhibitors from Aloe. Root mean square deviation (RMSD) and root mean square fluctuation (RMSF) calculations indicated that compounds 132, 134, and 159 were the best scoring compounds against main protease, while compounds 115, 120, and 131 were the best scoring ones against spike glycoprotein. Compounds 120 and 131 were able to achieve significant stability and binding free energies during molecular dynamics simulation. In addition, the highest scoring compounds were investigated for their pharmacokinetic properties and drug-likeness. The Aloe compounds are promising active phytoconstituents for drug development for SARS-CoV-2.

Application In Synthesis of 4-Methoxybenzaldehyde. Welcome to talk about 123-11-5, If you have any questions, you can contact Abouelela, ME; Assaf, HK; Abdelhamid, RA; Elkhyat, ES; Sayed, AM; Oszako, T; Belbahri, L; El Zowalaty, AE; Abdelkader, MSA or send Email.

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. Hosseini, N; Mokhtari, J; Yavari, I in [Hosseini, Negin; Mokhtari, Javad; Yavari, Issa] Islamic Azad Univ, Dept Chem, Sci & Res Branch, POB 14515-775, Tehran, Iran published Copper-Catalyzed Sonogashira-Cross-Coupling of Phenols Using Dichloroimidazolidinedione in 2021.0, Cited 28.0. The Name is Mequinol. Through research, I have a further understanding and discovery of 150-76-5.

Phenols are considered as an ideal alternative to aryl halides as coupling partners in cross-coupling reactions. In this work a copper-catalyzed Sonogashira cross-coupling of phenols using Dichloroimidazolidinedione (DCID) as new C-O activation agent has been developed for the first time. Substituted phenols and phenyl acetylenes were well-matched with the optimizing reaction conditions.

Category: indole-building-block. About Mequinol, If you have any questions, you can contact Hosseini, N; Mokhtari, J; Yavari, I 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 Kaur, N; Singh, P; Banerjee, P in WILEY-V C H VERLAG GMBH published article about in [Kaur, Navpreet; Singh, Priyanka; Banerjee, Prabal] Indian Inst Technol Ropar, Dept Chem, Rupnagar 140001, Punjab, India in 2021.0, Cited 78.0. Recommanded Product: 4-Methoxybenzaldehyde. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5

Herein, we report an efficient protocol for the synthesis of spiro-imidazolidinone-cyclohexadienones from p-quinone methides (p-QMs) and dialkyloxy ureas under mild conditions. The strategy follows a two-step process involving an initial vinylogous conjugate addition of urea derivatives to p-QMs, followed by oxidative dearomative cyclization of open-chain product to the projected spiro-imidazolidinones. This protocol exhibits good functional group tolerance and provides a straightforward method to access spiro-imidazolidinone-cyclohexadienones. In follow-up chemistry, we have shown the debenzylation of spiroimidazolidinones to give N-hydroxycyclic ureas.

Recommanded Product: 4-Methoxybenzaldehyde. About 4-Methoxybenzaldehyde, If you have any questions, you can contact Kaur, N; Singh, P; Banerjee, P 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

SDS of cas: 120-14-9. Authors Holota, S; Komykhov, S; Sysak, S; Gzella, A; Cherkas, A; Lesyk, R in MDPI published article about in [Holota, Serhii; Sysak, Stepan; Lesyk, Roman] Danylo Halytsky Lviv Natl Med Univ, Dept Pharmaceut Organ & Bioorgan Chem, Pekarska 69, UA-79010 Lvov, Ukraine; [Holota, Serhii] Lesya Ukrainka Volyn Natl Univ, Dept Organ Chem & Pharm, Volya Ave 13, UA-43025 Lutsk, Ukraine; [Komykhov, Sergiy] Natl Acad Sci Ukraine, Inst Single Crystals, State Sci Inst, Nauky Ave 60, UA-61072 Kharkiv, Ukraine; [Komykhov, Sergiy] Kharkov Natl Univ, Appl Chem Dept, Svobody Sq 4, UA-61022 Kharkiv, Ukraine; [Gzella, Andrzej] Poznan Univ Med Sci, Dept Organ Chem, Grunwaldzka 6, PL-60780 Poznan, Poland; [Cherkas, Andriy] Danylo Halytsky Lviv Natl Med Univ, Dept Internal Med 1, Pekarska 69, UA-79010 Lvov, Ukraine; [Lesyk, Roman] Univ Informat Technol & Management Rzeszow, Fac Med, Dept Publ Hlth Dietet & Lifestyle Disorders, Sucharskiego 2, PL-35225 Rzeszow, Poland; [Cherkas, Andriy] Sanofi Aventis Deutschland GmbH, Team Early Projects Type Diabet 1, Therapeut Area Diabet & Cardiovasc Med, Res & Dev, Ind Pk Hochst H831, D-65926 Frankfurt, Germany in 2021.0, Cited 55.0. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9

The present paper is devoted to the search for drug-like molecules with anticancer properties using the thiazolo[3,2-b][1,2,4]triazole-6-one scaffold. A series of 24 novel thiazolo-[3,2-b][1,2,4]triazole-6-ones with 5-aryl(heteryl)idene- and 5-aminomethylidene-moieties has been synthesized employing three-component and three-stage synthetic protocols. A mixture of Z/E-isomers was obtained in solution for the synthesized 5-aminomethylidene-thiazolo[3,2-b]-[1,2,4]triazole-6-ones. The compounds have been studied for their antitumor activity in the NCI 60 lines screen. Some compounds present excellent anticancer properties at 10 mu M. Derivatives 2h and 2i were the most active against cancer cell lines without causing toxicity to normal somatic (HEK293) cells. A preliminary SAR study had been performed for the synthesized compounds.

About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Holota, S; Komykhov, S; Sysak, S; Gzella, A; Cherkas, A; Lesyk, R or concate me.. SDS of cas: 120-14-9

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 Wu, YM; Tang, CR; Rui, RM; Yang, LM; Ding, W; Wang, JY; Li, YM; Lai, CC; Wang, YP; Luo, RH; Xiao, WL; Zhang, HB; Zheng, YT; He, YP in INST MATERIA MEDICA, CHINESE ACAD MEDICAL SCIENCES published article about REVERSE-TRANSCRIPTASE INHIBITORS; ANTI-HIV-1 ACTIVITY; DABOS; DISCOVERY; DESIGN; FAMILY in [Wu, Yumeng; Rui, Ruomei; Ding, Wei; Wang, Jiangyuan; Li, Yiming; Wang, Yueping; Xiao, Weilie; Zhang, Hongbing; He, Yanping] Yunnan Univ, Sch Chem Sci & Technol, Key Lab Med Chem Nat Resources, Minist Educ & Yunnan Prov, Kunming 650091, Yunnan, Peoples R China; [Tang, Chengrun; Yang, Liumeng; Luo, Ronghua; Zheng, Yongtang] Chinese Acad Sci, Natl Kunming High Level Biosafety Res Ctr Nonhuma, Key Lab Bioact Peptides Yunnan Prov,Key Lab Anim, Kunming Inst Zool,KIZ CUHK Joint Lab Bioresources, Kunming 650223, Yunnan, Peoples R China; [Lai, Christopher C.] NCI, Chem Biol Lab, Ctr Canc Res, NIH, Frederick, MD 21702 USA; [Tang, Chengrun] Kunming Med Univ, Sch Pharmaceut Sci, Kunming 650500, Yunnan, Peoples R China; [Tang, Chengrun] Kunming Med Univ, Yunnan Key Lab Pharmacol Nat Prod, Kunming 650500, Yunnan, Peoples R China in 2020.0, Cited 40.0. Product Details of 99-93-4. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4

A series of 2-(((5-akly/aryl-1H-pyrazol-3-yl)methyl)thio)-5-alkyl-6-(cyclohexylmethyl)-pyrimidin-4(3H)-ones were synthesized and their anti-HIV-1 activities were evaluated. Most of these compounds were highly active against wild-type (WT) HIV-1 strain (IIIB) with EC50 values in the range of 0.0038-0.4759 mmol/L. Among those compounds, I-11 had an EC50 value of 3.8 nmol/L and SI (selectivity index) of up to 25,468 indicating excellent activity against WT HIV-1. In vitro anti-HIV-1 activity and resistance profile studies suggested that compounds I-11 and I-12 displayed potential anti-HIV-1 activity against laboratory adapted strains and primary isolated strains including different subtypes and tropism strains (EC(50)s range from 4.3 to 63.6 nmol/L and 18.9-219.3 nmol/L, respectively). On the other hand, it was observed that those two compounds were less effective with EC50 values of 2.77 and 4.87 mmol/L for HIV-1A(17) (K103N + Y181C). The activity against reverse transcriptase (RT) was also evaluated for those compounds. Both I-11 and I-12 obtained sub-micromolar IC50 values showing their potential in RT inhibition. The pharmacokinetics examination in rats indicated that compound I-11 has acceptable pharmacokinetic properties and bioavailability. Preliminary structure-activity relationships and molecular modeling studies were also discussed. (C) 2020 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences. Production and hosting by Elsevier B.V.

Product Details of 99-93-4. Welcome to talk about 99-93-4, If you have any questions, you can contact Wu, YM; Tang, CR; Rui, RM; Yang, LM; Ding, W; Wang, JY; Li, YM; Lai, CC; Wang, YP; Luo, RH; Xiao, WL; Zhang, HB; Zheng, YT; He, YP or send Email.

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 New Fused Heterocyclic 2-Quinolones and 3-Alkanonyl-4-Hydroxy-2-Quinolones WOS:000496249500151 published article about FLUOROQUINOLONES; DERIVATIVES; INHIBITORS; MECHANISM; DESIGN; SIGNAL in [Aly, Ashraf A.; Hassan, Alaa A.; Mohamed, Nasr K.; Abd El-Haleem, Lamiaa E.] Menia Univ, Fac Sci, Chem Dept, El Minia 61519, Egypt; [Braese, Stefan] Karlsruhe Inst Technol, Inst Organ Chem, D-76131 Karlsruhe, Germany; [Braese, Stefan] Karlsruhe Inst Technol, Inst Toxicol & Genet, D-76344 Eggenstein Leopoldshafen, Germany; [Polamo, Mika; Nieger, Martin] Univ Helsinki, Dept Chem, POB 55,AI Virtasen Aukio 1, Helsinki 00014, Finland; [Brown, Alan B.] Florida Inst Technol, Chem Program, Melbourne, FL 32901 USA in 2019, Cited 31. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3. Formula: C9H7NO2

Herein, we report the synthesis of 5,12-dihydropyrazino[2,3-c:5,6-c ‘]difuro[2,3-c:4,5-c ‘]-diquinoline-6,14(5H,12H)diones, 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-1,4-diphenyl- butane-1,4-diones and 4-(benzo-[d]oxazol-2-yl)-3-hydroxy-1H-[4,5]oxazolo[3,2-a]pyridine-1-one. The new candidates were synthesized and identified by different spectroscopic techniques, and X-ray crystallography.

Formula: C9H7NO2. Welcome to talk about 86-95-3, If you have any questions, you can contact Aly, AA; Hassan, AA; Mohamed, NK; Abd El-Haleem, LE; Brase, S; Polamo, M; Nieger, M; Brown, AB or send Email.

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

I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Catalyst-Solvent System for PASE Approach to Hydroxyquinolinone-Substituted Chromeno[2,3-b]pyridines Its Quantum Chemical Study and Investigation of Reaction Mechanism published in 2020. Name: 4-Hydroxyquinolin-2(1H)-one, Reprint Addresses Elinson, MN (corresponding author), Russian Acad Sci, ND Zelinsky Inst Organ Chem, Leninsky Pr 47, Moscow 119991, Russia.. The CAS is 86-95-3. Through research, I have a further understanding and discovery of 4-Hydroxyquinolin-2(1H)-one

The Pot, Atom, and Step Economy (PASE) approach is based on the Pot economy principle and unites it with the Atom and Step Economy strategies; it ensures high efficiency, simplicity and low waste formation. The PASE approach is widely used in multicomponent chemistry. This approach was adopted for the synthesis of previously unknown hydroxyquinolinone substituted chromeno[2,3-b]pyridines via reaction of salicylaldehydes, malononitrile dimer and hydroxyquinolinone. It was shown that an ethanol-pyridine combination is more beneficial than other inorganic or organic catalysts. Quantum chemical studies showed that chromeno[2,3-b]pyridines has potential for corrosion inhibition. Real time H-1 NMR monitoring was used for the investigation of reaction mechanism and 2-((2H-chromen-3-yl)methylene)malononitrile was defined as a key intermediate in the reaction.

Name: 4-Hydroxyquinolin-2(1H)-one. About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Ryzhkov, FV; Ryzhkova, YE; Elinson, MN; Vorobyev, SV; Fakhrutdinov, AN; Vereshchagin, AN; Egorov, MP 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 Stereoselective Formation of beta-O-4 Structures Mimicking Softwood Lignin Biosynthesis: Effects of Solvent and the Structures of Quinone Methide Lignin Models WOS:000473251400005 published article about THREO FORMS; ERYTHRO/THREO RATIO; STEREO-PREFERENCE; DIASTEREOMERS; REACTIVITY; OXIDATION; DEGRADATION; DELIGNIFICATION; HARDWOOD; SPRUCE in [Zhu, Xuhai; Yokoyama, Tomoya; Matsumoto, Yuji] Univ Tokyo, Grad Sch Agr & Life Sci, Dept Biomat Sci, Wood Chem Lab,Bunkyo Ku, Tokyo 1138657, Japan; [Akiyama, Takuya] Forestry & Forest Prod Res Inst, Dept Forest Resource Chem, Wood Chem Lab, 1 Matsunosato, Tsukuba, Ibaraki 3058687, Japan in 2019.0, Cited 41.0. Recommanded Product: 99-93-4. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4

p-Quinone methide (QM) is formed as an intermediate during lignin biosynthesis. The aromatization of the QM by the attack of a nucleophile at the a-position of its side chain generates a phenolic hydroxy group in a growing polymer and creates stereoisomeric forms in the side chain. A series of beta-O-4-aryl ether QMs was reacted with water at 25 degrees C to replicate the formation of p-hydro)ryphenyl (H) and guaiacyl (C) beta-O-4 structures in plant cell walls. Water addition occurred in 3-methoxy-substituted QMs (G-type QMs) with half-lives (t(1/2)) between 13 and 15 min, at pH 7, in 50% water solution (dioxane water, 1:1). The rate increased as the water concentration increased to 99% (t(1/2), 1.2-1.4 min). Similar solvent effects were observed for more reactive nonsubstituted QMs (H-type QMs with t(1/2) of <1 min). Consequently, t(1/2) of the H-type QMs was shorter than that of the G-type QMs under every solvent condition. Upon increasing the water concentration, the variation in the erythro/threo ratios of the four dimeric beta-O-4 products increased. Interestingly, the effect of pH on the stereopreference, which was observed in 50% water solution, was small and became imperceptible as the water concentration increased to 99%, suggesting that the effect of the solvent, as well as the effect of the pH, plays an important role in understanding the reaction conditions in cell walls during lignin biosynthesis. The threo isomer was preferentially formed in the four dimeric beta-O-4 structures, which is inconsistent with the structural features of compression wood lignin rich in H-units. However, the erythro-selective formation was attained in an H-type QM at every pH studied (pH 3.5-7) by introducing a biphenyl structure into the beta-etherified ring moiety. Recommanded Product: 99-93-4. Welcome to talk about 99-93-4, If you have any questions, you can contact Zhu, XH; Akiyama, T; Yokoyama, T; Matsumoto, Y or send Email.

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 2021 TETRAHEDRON published article about BIGINELLI REACTION; DERIVATIVES; TRICKS in [Milovic, Emilija; Petronijevic, Jelena; Joksimovic, Nenad] Univ Kragujevac, Fac Sci, Dept Chem, Radoja Domanovica 12, Kragujevac 34000, Serbia; [Jankovic, Nenad] Univ Kragujevac, Inst Informat Technol Kragujevac, Dept Sci, Kragujevac 34000, Serbia; [Bogdanovic, Goran A.] Univ Belgrade, VINCA Inst Nucl Sci, Natl Inst Republ Serbia, POB 522, Belgrade 11001, Serbia in 2021, Cited 30. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9. Name: 3,4-Dimethoxybenzaldehyde

A simple on water approach for the synthesis of novel tetrahydropyrimidine (THPM) derivatives has been developed under a green and sustainable fashion. For the first time, a deuterated Biginelli’s hybrid was synthesized. Novel THPMs are suitable for further derivatization and could be an excellent toolkit for lead-oriented synthesis and/or cross-coupling reactions. (C) 2020 Elsevier Ltd. All rights reserved.

About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Milovic, E; Jankovic, N; Bogdanovic, GA; Petronijevic, J; Joksimovic, N or concate me.. Name: 3,4-Dimethoxybenzaldehyde

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 Kim, J; Umerani, MJ; Kurakake, R; Qin, HT; Ziller, JW; Gorodetsky, AA; Park, YS in ROYAL SOC CHEMISTRY published article about ELECTRON-TRANSPORT; ACTIVE QUINOLINE; POLYQUINOLINES; EFFICIENT; POLYMERS; FACILE; ROUTE; METAL in [Kim, Juhwan; Qin, Huiting; Gorodetsky, Alon A.; Park, Young S.] Univ Calif Irvine, Dept Chem & Biomol Engn, Irvine, CA 92697 USA; [Umerani, Mehran J.; Kurakake, Reina; Gorodetsky, Alon A.] Univ Calif Irvine, Dept Mat Sci & Engn, Irvine, CA 92697 USA; [Ziller, Joseph W.; Gorodetsky, Alon A.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA; [Park, Young S.] Ulsan Natl Inst Sci & Technol UNIST, Dept Chem, 50 UNIST Gil, Ulsan 44919, South Korea in 2021.0, Cited 51.0. SDS of cas: 123-11-5. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5

Quinolines and quinoline-containing macromolecules are renowned for their valuable biological activities and excellent materials properties. Herein, we validate a general strategy for the synthesis of chloro-containing quinoline, benzoquinoline and polybenzoquinoline variants via the aza-Diels-Alder reaction. The described findings could be ultimately implemented in other synthetic pathways and may open new opportunities for analogous quinoline-derived materials.

SDS of cas: 123-11-5. Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.

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