Day: October 9, 2021

I found the field of Chemistry very interesting. Saw the article Continuous flow synthesis of aryl aldehydes by Pd-catalyzed formylation of phenol-derived aryl fluorosulfonates using syngas published in 2020.0. COA of Formula: C8H8O2, Reprint Addresses Hone, CA; Kappe, CO (corresponding author), Res Ctr Pharmaceut Engn GmbH RCPE, Ctr Continuous Flow Synth & Proc CCFLOW, Inffeldgasse 13, A-8010 Graz, Austria.; Hone, CA; Kappe, CO (corresponding author), Karl Franzens Univ Graz, Inst Chem, NAWI Graz, Heinrichstr 28, A-8010 Graz, Austria.. The CAS is 99-93-4. Through research, I have a further understanding and discovery of 4′-Hydroxyacetophenone

This communication describes the palladium-catalyzed reductive carbonylation of aryl fluorosulfonates (ArOSO2F) using syngas as an inexpensive and sustainable source of carbon monoxide and hydrogen. The conversion of phenols to aryl fluorosulfonates can be conveniently achieved by employing the inexpensive commodity chemical sulfuryl fluoride (SO2F2) and base. The developed continuous flow formylation protocol requires relatively low loadings for palladium acetate (1.25 mol%) and ligand (2.5 mol%). Good to excellent yields of aryl aldehydes were obtained within 45 min for substrates containing electron withdrawing substituents, and 2 h for substrates containing electron donating substituents. The optimal reaction conditions were identified as 120 degrees C temperature and 20 bar pressure in dimethyl sulfoxide (DMSO) as solvent. DMSO was crucial in suppressing Pd black formation and enhancing reaction rate and selectivity.

COA of Formula: C8H8O2. About 4′-Hydroxyacetophenone, If you have any questions, you can contact Kockinger, M; Hanselmann, P; Hu, GX; Hone, CA; Kappe, CO 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: 100-51-6. I found the field of Pharmacology & Pharmacy very interesting. Saw the article Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists published in 2021.0, Reprint Addresses Domling, A (corresponding author), Univ Groningen, Dept Drug Design, NL-9713 AV Groningen, Netherlands.. The CAS is 100-51-6. Through research, I have a further understanding and discovery of Benzyl Alcohol.

The PD-1/PD-L1 axis has proven to be a highly efficacious target for cancer immune checkpoint therapy with several approved antibodies. Also, small molecules based on a biphenyl core can antagonize PD-1/PD-L1, leading to the in vitro formation of PD-L1 dimers. However, their development remains challenging, as we do not yet fully understand their mode of action. In this work, we designed a new scaffold based on our previously solved high-resolution structures of low-molecular-weight inhibitors bound to PD-L1. A small compound library was synthesized using the Groebke-Blackburn-Bienayme multicomponent reaction (GBB-3CR), resulting in the structure-activity relationship of imidazo[1,2-a]pyridine-based inhibitors. These inhibitors were tested for their biological activity using various biophysical assays giving potent candidates with low-micromolar PD-L1 affinities. An obtained PD-L1 cocrystal structure reveals the binding to PD-L1. Our results open the door to an interesting bioactive scaffold that could lead to a new class of PD-L1 antagonists.

About Benzyl Alcohol, If you have any questions, you can contact Butera, R; Wazynska, M; Magiera-Mularz, K; Plewka, J; Musielak, B; Surmiak, E; Sala, D; Kitel, R; de Bruyn, M; Nijman, HW; Elsinga, PH; Holak, TA; Domling, A or concate me.. SDS of cas: 100-51-6

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 Organocatalytic Asymmetric Synthesis of Benzothiazolopyrimidines via [4+2] Cyclization of 2-Benzothiazolimines and Aldehydes WOS:000643595200031 published article about MESOIONIC XANTHINE ANALOGS; MANNICH REACTION; CYCLOADDITION; ISOTHIOUREAS; CATALYSIS; ACCESS; ACID in [Chen, Xue-Ping; Hou, Ke-Qiang; Zhou, Feng; Chan, Albert S. C.; Xiong, Xiao-Feng] Sun Yat Sen Univ, Sch Pharmaceut Sci, Guangdong Prov Key Lab Chiral Mol & Drug Discover, Guangzhou 510006, Peoples R China in 2021.0, Cited 41.0. Recommanded Product: 4-Methoxybenzaldehyde. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5

We report the direct asymmetric synthesis of pyrimido[2,1-b]benzothiazoles using a commercially available chiral amine catalyst. A variety of 2-benzothiazolimines and aldehydes were well tolerated under the reaction conditions and generated the corresponding products in 81-99% yields with excellent diastereoselectivities and enantioselectivities (up to >20:1 dr, 99% ee). Furthermore, the products could be easily converted to other useful chiral building blocks.

Recommanded Product: 4-Methoxybenzaldehyde. About 4-Methoxybenzaldehyde, If you have any questions, you can contact Chen, XP; Hou, KQ; Zhou, F; Chan, ASC; Xiong, XF 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

Recently I am researching about H BOND FUNCTIONALIZATION; FRIEDEL-CRAFTS REACTION; C-H; SYNTHETIC APPLICATIONS; ARYL; ALKYLATION; NAPHTHOLS; ACCESS; CHLORINATION; METHYLATION, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21971066, 21772042]; Science and Technology Commission of Shanghai MunicipalityScience & Technology Commission of Shanghai Municipality (STCSM) [18JC1412300]. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Tang, ZQ; Li, DD; Yue, YD; Peng, D; Liu, L. The CAS is 150-19-6. Through research, I have a further understanding and discovery of m-Methoxyphenol. Recommanded Product: m-Methoxyphenol

We have developed a Bronsted acid catalysed highly ortho-selective functionalization of free phenols with readily available N,O-acetals under mild conditions, furnishing various corresponding aminomethylated phenol products in moderate to excellent yields. The salient features of this transformation include mild conditions, good substrate scope, excellent ortho-selectivity, high efficiency, and ease of further transformation.

About m-Methoxyphenol, If you have any questions, you can contact Tang, ZQ; Li, DD; Yue, YD; Peng, D; Liu, L or concate me.. Recommanded Product: m-Methoxyphenol

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 J AM CHEM SOC published article about POVAROV REACTION; CATALYSIS; CHEMISTRY; DESIGN in [Feng, Xuanyu; Song, Yang; Lin, Wenbin] Univ Chicago, Dept Chem, Chicago, IL 60637 USA in 2021, Cited 70. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5. Product Details of 123-11-5

Owing to hindered diffusions, the application of porous catalytic materials has been limited to relatively simple organic transformations with small substrates. Herein we report a dimensional reduction strategy to construct a two-dimensional metal-organic framework (MOF), Zr6OTf-BTB, with 96% accessible Lewis acidic sites as probed by the bulky Lewis base pivalonitrile. With nearly free substrate accessibility, Zr6OTf-BTB outperformed two three-dimensional MOF counterparts of similar Lewis acidity (Zr6OTf-BPDC and Zr6OTf-BTC) in catalyzing sterically hindered multicomponent reactions (MCRs) for the construction of tetrahydroquinoline and aziridine carboxylate derivatives with high turnover numbers (TONs). Zr6OTf-BTB was also superior to the homogeneous benchmark Sc(OTf)(3) with nearly 14 times higher TON and 9 times longer catalyst lifetime. Furthermore, the topology-activity relationships in these Zr-based Lewis acidic MOFs were rationalized by comparing their Lewis acidity, numbers of Lewis acidic sites, and sterically accessible Lewis acidic sites. Zr6OTf-BTB was successfully used to construct several bioactive molecules via MCRs with excellent efficiency. This dimensional reduction strategy should allow the development of other MOF catalysts for synthetically useful and complicated organic transformations.

Product Details of 123-11-5. About 4-Methoxybenzaldehyde, If you have any questions, you can contact Feng, XY; Song, Y; Lin, WB 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 2019.0 J FOOD SCI published article about TONGUE; NOSE in [Kim, Da-som; Lee, Jookyeong Tracy; Hong, Seong Jun; Cho, Jin-Ju; Shin, Eui-Cheol] Gyeongnam Natl Univ Sci & Technol, Dept Food Sci, Jinju 52725, South Korea in 2019.0, Cited 32.0. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4. COA of Formula: C8H8O2

This study aims to investigate alterations in volatile compounds and chemical components that may affect the sensory properties of Cynanchi wilfordii roasted at 120 degrees C and 180 degrees C for various durations of time (0 to 4 min). For volatile compound profiles, tridecane, tetradecane, and ethyl hexyl ether were detected as major compounds of the sample without roasting. As the roasting temperature increased, the types of volatile compounds increased, whereas the content decreased with an increase in heterocyclic compound generation. The sample roasted at 120 degrees C for 1 min showed a notably different profile pattern from the other roasted samples. For the sniffing test performed by trained panelists using gas chromatography olfactometry, naphthalene and nonanal, which induce spicy and raw C. wilfordii, respectively, were perceived most intensely throughout all the samples. In the electronic tongue analysis, the sample roasting at 180 degrees C showed an increased and decreased pattern in umami taste and saltiness, respectively, with increased roasting time. Electronic tongue analysis results showed that the sample roasted at 180 degrees C for 4 min would have the best sensory preference. Along with the volatile compound profiles, the sample roasted at 120 degrees C for 1 min had more sourness than the other samples, and would potentially have distinctive sensory characteristics. This study should provide baseline data on variations in the sensory properties and industrial applications of C. wilfordii upon roasting. Practical Application Various applications of food ingredients through changes in sensory characteristics by roasting will provide consumers more options for food selections. Accordingly, this study will be utilized by (1) individuals and food companies who are interested in functional foods, (2) individuals and food industries that seek optimum roasting conditions for proper sensory characteristics of foods, and (3) farmers and crop producers who seek for utilization the applications of Cynanchi wilfordii as a food ingredient.

COA of Formula: C8H8O2. About 4′-Hydroxyacetophenone, If you have any questions, you can contact Kim, DS; Lee, JT; Hong, SJ; Cho, JJ; Shin, EC 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

COA of Formula: C7H8O. In 2019.0 BIOORGAN MED CHEM published article about BRIDGED NUCLEIC-ACID; ANTISENSE OLIGONUCLEOTIDES; ANALOGS; LNA in [Fujisaka, Aki; Hari, Yoshiyuki; Takuma, Hiroko; Rahman, S. M. Abdur; Yoshikawa, Haruhisa; Pang, Juanjuan; Imanishi, Takeshi; Obika, Satoshi] Osaka Univ, Grad Sch Pharmaceut Sci, 1-6 Yamadaoka, Suita, Osaka 5650871, Japan; [Fujisaka, Aki] Osaka Ohtani Univ, Fac Pharm, Nishikiori Kita 3-11-1, Tondabayashi, Osaka 5848540, Japan; [Hari, Yoshiyuki] Tokushima Bunri Univ, Fac Pharmaceut Sci, Yamashiro, Tokushima 7708514, Japan; [Rahman, S. M. Abdur] Univ Dhaka, Fac Pharm, Dept Clin Pharm & Pharmacol, Dhaka 1000, Bangladesh; [Yoshikawa, Haruhisa; Imanishi, Takeshi] BNA Inc, 7-7-20 Saito Asagi, Osaka 5670085, Japan in 2019.0, Cited 34.0. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6.

We efficiently synthesized 2′-O,4′-C-aminomethylene-bridged nucleic acid (2′,4′-BNA(NC)) monomers bearing the four nucleobases, guanine, adenine, thymine, and 5-methylcytosine and incorporated these monomers into oligonucleotides. Initially, we carried out the transglycosylation reaction on several 2′-O-substituted 5-methyluridines to evaluate the effects of 2′-substitutions on this reaction. Under the optimized conditions, purine nucleobases were successfully introduced, and 2′,4′-BNA(NC) monomers bearing adenine or guanine were obtained over several steps. In addition, the improved synthesis of the 2′,4′-BNA(NC) monomers bearing thymine or 5-methylcytosine was also achieved. The obtained 2′,4′-BNA(NC) monomers were subsequently incorporated into oligonucleotides and the duplex-forming abilities of the modified oligonucleotides were investigated. Duplexes containing 2′,4′-BNA(NC) monomers in both or either strands were found to possess excellent thermal stabilities.

About Benzyl Alcohol, If you have any questions, you can contact Fujisaka, A; Hari, Y; Takuma, H; Rahman, SMA; Yoshikawa, H; Pang, J; Imanishi, T; Obika, S or concate me.. COA of Formula: C7H8O

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

Safety of 3,4-Dimethoxybenzaldehyde. Authors Wang, B; Wang, LR; Liu, LL; Wang, W; Man, RJ; Zheng, DJ; Deng, YS; Yang, YS; Xu, C; Zhu, HL in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about in [Wang, Bin; Wang, Li-Ren; Liu, Lu-Lu; Wang, Wei; Zheng, Da-Jun; Deng, Yu-Shan; Yang, Yu-Shun; Xu, Chen; Zhu, Hai-Liang] Nanjing Univ, Sch Life Sci, State Key Lab Pharmaceut Biotechnol, Nanjing 210023, Peoples R China; [Man, Ruo-Jun] Guangxi Univ Nationalities, Guangxi Biol Polysaccharide Separat Purificat & M, Nanning 530006, Peoples R China in 2021.0, Cited 44.0. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9

In this work, a series of diaryl benzo[b][1,4]thiazepine derivatives D1-D36 were synthesized and screened as tubulin polymerization inhibitors with anti-tumor potency. They were designed by introducing the seven member ring benzothiazepine as the linker for CA-4 modification for the first time. Among them, the hit compound D8 showed potential on inhibiting the growth of several cancer cell lines (IC50 values: 1.48 mu M for HeLa, 1.47 mu M for MCF-7, 1.52 mu M for HT29 and 1.94 mu M for A549), being comparable with the positive controls Colchicine and CA-4P. The calculated IC50 value of D8 as an tubulin polymerization inhibitor was 1.20 mu M. The results of the flow cytometry assay revealed that D8 could induce the mitotic catastrophe and the death of living cancer cells. D8 also indicated the anti-vascular activity. The possible binding pattern was implied by docking simulation, inferring the possibility of introducing interactions with the nearby tubulin chain. Since the novel structural trial has been conducted with preliminary discussion, this work might stimulate new ideas in further modification of tubulin-related anti-cancer agents and therapeutic approaches.

About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Wang, B; Wang, LR; Liu, LL; Wang, W; Man, RJ; Zheng, DJ; Deng, YS; Yang, YS; Xu, C; Zhu, HL or concate me.. Safety of 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 Polaquini, CR; Marques, BC; Ayusso, GM; Morao, LG; Sardi, JCO; Campos, DL; Silva, IC; Cavalca, LB; Scheffers, DJ; Rosalen, PL; Pavan, FR; Ferreira, H; Regasini, LO in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about in [Polaquini, Carlos R.; Marques, Beatriz C.; Ayusso, Gabriela M.; Regasini, Luis O.] Sao Paulo State Univ Unesp, Inst Biosci Humanities & Exact Sci, Dept Chem & Environm Sci, BR-15054000 Sao Jose Do Rio Preto, SP, Brazil; [Morao, Luana G.; Cavalca, Lucia B.; Ferreira, Henrique] Sao Paulo State Univ Unesp, Inst Biosci, Dept Biochem & Microbiol, BR-13050690 Rio Claro, SP, Brazil; [Sardi, Janaina C. O.; Rosalen, Pedro L.] Univ Campinas Unicamp, Piracicaba Dent Sch, Dept Physiol Sci, BR-13414903 Campinas, SP, Brazil; [Sardi, Janaina C. O.] Fed Univ Mato Grosso do Sul Ufms, Sch Pharmaceut Sci Food & Nutr, BR-79070900 Campo Grande, MS, Brazil; [Campos, Debora L.; Silva, Isabel C.; Pavan, Fernando R.] Sao Paulo State Univ Unesp, Sch Pharmaceut Sci, Dept Biol Sci, BR-14800903 Araraquara, SP, Brazil; [Cavalca, Lucia B.; Scheffers, Dirk-Jan] Univ Groningen, Groningen Biomol Sci & Biotechnol Inst, Dept Mol Microbiol, NL-9747 AG Groningen, Netherlands; [Rosalen, Pedro L.] Fed Univ Alfenas Unifal, Sch Dent, BR-37130000 Alfenas, MG, Brazil in 2021, Cited 75. Computed Properties of C9H10O3. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9

Curcumin (CUR) is a symmetrical dicarbonyl compound with antibacterial activity. On the other hand, pharmacokinetic and chemical stability limitations hinder its therapeutic application. Monocarbonyl analogs of curcumin (MACs) have been shown to overcome these barriers. We synthesized and investigated the antibacterial activity of a series of unsymmetrical MACs derived from acetone against Mycobacterium tuberculosis and Gram-negative and Gram-positive species. Phenolic MACs 4, 6 and 8 showed a broad spectrum and potent activity, mainly against M. tuberculosis, Acinetobacter baumannii and methicillin-resistant Staphylococcus aureus (MRSA), with MIC (minimum inhibitory concentration) values ranging from 0.9 to 15.6 mu g/mL. The investigation regarding toxicity on human lung cells (MRC-5 and A549 lines) revealed MAC 4 was more selective than MACs 6 and 8, with SI (selectivity index) values ranging from 5.4 to 15.6. In addition, MAC 4 did not demonstrate genotoxic effects on A549 cells and it was more stable than CUR in phosphate buffer (pH 7.4) for 24 h at 37 degrees C. Fluorescence and phase contrast microscopies indicated that MAC 4 has the ability to disrupt the divisome of Bacillus subtilis without damaging its cytoplasmic membrane. However, biochemical investigations demonstrated that MAC 4 did not affect the GTPase activity of B. subtilis FtsZ, which is the main constituent of the bacterial divisome. These results corroborated that MAC 4 is a promising antitubercular and antibacterial agent.

Computed Properties of C9H10O3. About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Polaquini, CR; Marques, BC; Ayusso, GM; Morao, LG; Sardi, JCO; Campos, DL; Silva, IC; Cavalca, LB; Scheffers, DJ; Rosalen, PL; Pavan, FR; Ferreira, H; Regasini, LO 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

Name: 4-Hydroxyquinolin-2(1H)-one. Recently I am researching about DERIVATIVES; INHIBITORS; FUROQUINOLINE; ALKALOIDS; MODEL, Saw an article supported by the . Published in SPRINGER WIEN in WIEN ,Authors: Aly, AA; Ishak, E; Shwaky, AM; Mohamed, AH. The CAS is 86-95-3. Through research, I have a further understanding and discovery of 4-Hydroxyquinolin-2(1H)-one

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

Name: 4-Hydroxyquinolin-2(1H)-one. 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.

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