Day: November 3, 2021

I found the field of Chemistry very interesting. Saw the article Design, synthesis, biological activity, molecular docking and computational studies on novel 1,4-disubstituted-1,2,3-Triazole-Thiosemicarbazone hybrid molecules published in 2020.0. Product Details of 100-83-4, Reprint Addresses Tittal, RK (corresponding author), Natl Inst Technol, Dept Chem, Kurukshetra 136119, Haryana, India.; Lal, K (corresponding author), GJUS&T, Dept Chem, Hisar 125001, Haryana, India.. The CAS is 100-83-4. Through research, I have a further understanding and discovery of 3-Hydroxybenzaldehyde

A library of some novel 1,4-disubstituted-1,2,3-triazole-thiosemicarbazone hybrid molecules were designed and synthesized from (4-Prop-2-ynyloxy-benzylidene)-thiosemicarbazone and aryl azides under Cu(I)-catalyzed cycloaddition reaction. All newly synthesized [4-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethoxy)-benzylidene] -thiosemicarbazone hybrid molecules were efficiently characterized by IR, H-1 NMR, C-13 NMR, HRMS and structure of alkynes 3 & 12 were finally supported by X-ray crystallographic data. Compounds 5c, 5d, 9c, 9d 13c and 13d demonstrated excellent potency results for B. Subtilis and P. Aeruginosa bacterial strains with MIC values 0.0141, 0.0152, 0.0562, 0.0608, 0.0141, 0.0608, 0.0141, 0.0304, 0.0281, 0.0304, 0.0281, 0.0304, respectively as compared to reference drug Ciprofloxacin. Antibacterial activity results were supported by molecular docking and DFT studies. (C) 2020 Elsevier B.V. All rights reserved.

Product Details of 100-83-4. About 3-Hydroxybenzaldehyde, If you have any questions, you can contact Naveen; Tittal, RK; Ghule, VD; Kumar, N; Kumar, L; Lal, K; Kumar, A 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

Application In Synthesis of 3-(Trifluoromethyl)phenol. I found the field of Pharmacology & Pharmacy very interesting. Saw the article Synthesis and biological evaluation of quinazoline derivatives – A SAR study of novel inhibitors of ABCG2 published in 2019, Reprint Addresses Wiese, M (corresponding author), Univ Bonn, Inst Pharmaceut, Immenburg 4, D-53121 Bonn, Germany.. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol.

Multidrug resistance (MDR) is a major obstacle for effective chemotherapeutic treatment of cancer frequently leading to failure of the therapy. MDR is often associated with the overexpression of ABC transport proteins like ABCB1 or ABCG2 which efflux harmful substances out of cells at the cost of ATP hydrolysis. One way to overcome MDR is to apply potent inhibitors of ABC transporters to restore the sensitivity of the cells toward cytostatic agents. This study focusses on the synthesis and evaluation of novel 2,4-disubstituted quinazoline derivatives regarding the structure-activity-relationship (SAR), their ability to reverse MDR and their mode of interaction with ABCG2. Hence, the inhibitory potency and selectivity toward ABCG2 was determined. Moreover, the intrinsic cytotoxicity and the reversal of MDR were investigated. Interaction type studies with the substrate Hoechst 33342 and conformational analyses of ABCG2 with 5D3 monoclonal antibody were performed for a better understanding of the underlying mechanisms. In our study we could further enhance the inhibitory effect against ABCG2 (compound 31, IC50: 55 nM) and identify the structural features that are crucial for inhibitory potency, the impact on transport activity and binding to the protein. (C) 2018 Elsevier Masson SAS. All rights reserved,

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Krapf, MK; Gallus, J; Spindler, A; Wiese, M or concate me.. Application In Synthesis of 3-(Trifluoromethyl)phenol

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. Liu, YH; Wang, ZJ; Zhang, Q; Bai, H; Cai, YQ; Yan, Z; Lv, Q in [Liu, Yahui; Wang, Zhijuan; Zhang, Qing; Bai, Hua; Lv, Qing] Chinese Acad Inspect & Quarantine, Inst Ind & Consumer Prod Safety, Beijing 100176, Peoples R China; [Cai, Yaqi; Lv, Qing] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing 100085, Peoples R China; [Liu, Yahui; Yan, Zheng] Hebei Univ, Coll Chem & Environm Sci, Baoding 071002, Peoples R China published Optimization of multi-residue method for targeted screening and quantification of 216 harmful chemicals in plastic children’s toys by gas chromatography-tandem mass spectrometry analysis in 2019, Cited 25. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6.

Herein, we report a multi-residue method based on dissolution-precipitation extraction combined with gas chromatography-tandem mass spectrometry (GC-MS/MS) analysis for targeted screening and quantification of 216 harmful chemicals in plastic children’s toys. We established a spectrogram database containing the first-order mass spectra of all analytes and their second-order mass spectra at different collision energies. Good separation was attained in less than 60 min. As a simple and low-cost extraction method, dissolution-precipitation exhibited good recoveries for the analytes in the plastic samples. The matrix-matched standard curves were accurate for analyte quantification in specific plastics due to the solvent effects and matrix effects. The limits of quantification range were 0.1 mg/kg to 10 mg/kg. A wide linear range of 0.1-200 mg/kg was also observed, with r(2)>= 0.9924. The average recoveries ranged from 63.9% to 137.6%, and the relative standard deviation (n = 6) varied from 0.6% to 13.2%. Finally, 31 ABS actual toys and 30 PVC actual toys were detected and 20 analytes with contents ranging from 0.4 mg/kg to 172 mg/kg and 30 analytes from 0.8 mg/kg to 141,030 mg/kg were discovered respectively. (C) 2019 Elsevier B.V. All rights reserved.

Computed Properties of C7H8O. About Benzyl Alcohol, If you have any questions, you can contact Liu, YH; Wang, ZJ; Zhang, Q; Bai, H; Cai, YQ; Yan, Z; Lv, Q 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

HPLC of Formula: C9H7NO2. Authors Chheda, PR; Kummer, DA; Nishimura, RT; McClure, KJ; Venkatesan, H in AMER CHEMICAL SOC published article about in [Kummer, David A.] Lundbeck La Jolla Res Ctr Inc, San Diego, CA 92121 USA; [Chheda, Pratik R.; Nishimura, Rachel T.; McClure, Kelly J.; Venkatesan, Hariharan] Janssen Res & Dev, Discovery Chem, San Diego, CA 92121 USA in 2021, Cited 63. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3

A one-pot, Hantzsch ester-mediated Knoevenagel condensation-reduction reaction has been developed for alkylation of a wide range of substituted 2,4-quinoline diols and 2,4-pyridine diols with aldehydes. The process is operationally simple to perform, scalable, and provides highly useful C-3 alkylated quinoline and pyridine diols in yields of 58-92%. The alkylation products can be converted to 2,4-dihaloquinoline and pyridine substrates for further functionalization.

HPLC of Formula: C9H7NO2. About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Chheda, PR; Kummer, DA; Nishimura, RT; McClure, KJ; Venkatesan, H 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 Agrawal, N; Mishra, P in SPRINGER BIRKHAUSER published article about CLINICAL-PHARMACOLOGY; SELECTIVE INHIBITORS; MAO INHIBITORS; B INHIBITORS; IN-SILICO; HYDRAZONE; SCAFFOLD; VITRO in [Agrawal, Neetu; Mishra, Pradeep] GLA Univ, Inst Pharmaceut Res, Mathura, UP, India in 2019.0, Cited 42.0. Safety of 4′-Hydroxyacetophenone. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4

Selective monoamine oxidase B inhibitors are potential drug candidates for the treatment of Parkinson’s disease. A series of phenyl substituted isoxazole carbohydrazides was designed by structural modification of isocarboxazid, a nonselective MAO inhibitor and evaluated as inhibitors of MAO-A and MAO-B. The compounds were not able to inhibit MAO-A significantly, but most of the compounds exhibited potent inhibitory activity against MAO-B. The enzyme kinetic study of the most active compounds 5d, 5-phenyl-N ‘-(1-(p-tolyl)ethylidene)isoxazole-3-carbohydrazide and 5g, N ‘-(1-(3,4-dimethoxyphenyl)ethylidene)-5-phenylisoxazole-3-carbohydrazide displayed reversible and competitive MAO-B inhibition. In molecular modeling studies, compounds 5d and 5g exhibited strong binding affinity on MAO-B active site. The administration of compounds 5d and 5g exhibited prevention of MPTP-induced Parkinsonism as indicated by footprint analysis and horizontal wire tests. Further optimization studies are essential to exploit their potential for MAO-B associated neurodegenerative pathologies.

Safety of 4′-Hydroxyacetophenone. About 4′-Hydroxyacetophenone, If you have any questions, you can contact Agrawal, N; Mishra, 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

Authors Poshala, S; Thunga, S; Golla, S; Satheesh, V; Kokatla, HP in WILEY-V C H VERLAG GMBH published article about ENANTIOSELECTIVE SYNTHESIS; TRICHLOROMETHYL KETONES; CARBOXYLIC-ACIDS; TRICHLOROACETATE; REARRANGEMENT in [Poshala, Soumya; Thunga, Sanjeeva; Golla, Sivaparwathi; Satheesh, Vanaparthi; Kokatla, Hari Prasad] Natl Inst Technol Warangal, Dept Chem, Warangal 506004, Telangana, India in 2019.0, Cited 38.0. Safety of Benzyl Alcohol. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6

A novel one-pot approach for the synthesis of trichloroacetates is described. Use of inexpensive, commercially available trichloroacetonitrile as a trichloroacyl source has made this protocol have more industrial applications. This one-pot approach is applicable to a wide range of alcohols as demonstrated by 28 examples with good to excellent yields in the order of 93%. Trichloroacetates were characterized by infrared, NMR spectra and further the structure of 2-(1,3-dioxoisoindolin-2-yl)ethyl-2,2,2-trichloroacetate was confirmed by single-crystal X-ray diffraction. Moreover, benzyl trichloroacetates synthesized were converted into corresponding benzyl iodides in good yields (51-70%). In addition, bypassing harsh reagents, use of cheaper, commercially available sodium iodide as nucleophile and mild reaction conditions are some of practical features of this methodology.

Safety of Benzyl Alcohol. About Benzyl Alcohol, If you have any questions, you can contact Poshala, S; Thunga, S; Golla, S; Satheesh, V; Kokatla, HP 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

Diarnanti, KS; Alygizakis, NA; Nika, MC; Oswaldova, M; Oswald, P; Thomaidis, NS; Slobodnik, J 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 published Assessment of the chemical pollution status of the Dniester River Basin by wide-scope target and suspect screening using mass spectrometric techniques in 2020, Cited 41. Recommanded Product: 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

Recommanded Product: 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

COA of Formula: C7H8O2. Authors Zhao, RN; Zhou, Z; Liu, JX; Wang, X; Zhang, Q; Li, D in AMER CHEMICAL SOC published article about in [Zhao, Ruinan; Zhou, Zhong; Liu, Jixiang; Wang, Xia; Zhang, Qian; Li, Dong] Hubei Univ Technol, Sch Mat & Chem Engn, Wuhan 430068, Peoples R China in 2020.0, Cited 77.0. The Name is m-Methoxyphenol. Through research, I have a further understanding and discovery of 150-19-6

An efficient silver-catalyzed para-selective amination and aminative dearomatization of phenols with azodicarboxylates was developed. It afforded the para-aminophenols or amino cyclohexadieneones from free phenols depending on whether it has a para-substituent. The reaction proceeded smoothly in water under simple and mild conditions, giving the highly selective products in good yields within a short reaction time. It also showed broad substrate scope and good functional group compatibility.

About m-Methoxyphenol, If you have any questions, you can contact Zhao, RN; Zhou, Z; Liu, JX; Wang, X; Zhang, Q; Li, D or concate me.. COA of Formula: C7H8O2

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

Ammazzalorso, A; Gallorini, M; Fantacuzzi, M; Gambacorta, N; De Filippis, B; Giampietro, L; Maccallini, C; Nicolotti, O; Cataldi, A; Amoroso, R in [Ammazzalorso, Alessandra; Fantacuzzi, Marialuigia; De Filippis, Barbara; Giampietro, Letizia; Maccallini, Cristina; Amoroso, Rosa] Univ G dAnnunzio, Dept Pharm, Unit Med Chem, Chieti, Italy; [Gallorini, Marialucia; Cataldi, Amelia] Univ G dAnnunzio, Dept Pharm, Unit Anat, Chieti, Italy; [Gambacorta, Nicola; Nicolotti, Orazio] A Moro Univ, Dept Farm Sci Farmaco, Unit Med Chem, Bari, Italy published Design, synthesis and biological evaluation of imidazole and triazole-based carbamates as novel aromatase inhibitors in 2021.0, Cited 33.0. Name: Mequinol. The Name is Mequinol. Through research, I have a further understanding and discovery of 150-76-5.

In the search for novel aromatase inhibitors, a series of triazole and imidazole-based carbamate derivatives were designed and synthesized. Final compounds were thus evaluated against human aromatase by in vitro kinetic experiments in a fluorimetric assay in comparison with letrozole. The effect of most active derivatives 13a and 15c was then evaluated in vitro on the human breast cancer cell line MCF7 by MTT assay, cytotoxicity assay (LDH release) and cell cycle analysis, revealing a dose-dependent inhibition profile of cell viability and low micromolar IC50 values. In addition, docking simulations were also carried out to elucidate at a molecular level of detail the binding modes adopted to target human aromatase. (C) 2020 Elsevier Masson SAS. All rights reserved.

About Mequinol, If you have any questions, you can contact Ammazzalorso, A; Gallorini, M; Fantacuzzi, M; Gambacorta, N; De Filippis, B; Giampietro, L; Maccallini, C; Nicolotti, O; Cataldi, A; Amoroso, R or concate me.. Name: Mequinol

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

Product Details of 123-11-5. Authors Yang, HF; Lu, SN; Chen, ZK; Wu, XF in AMER CHEMICAL SOC published article about in [Yang, Hefei; Lu, Shu-Ning; Chen, Zhengkai] Zhejiang Sci Tech Univ, Dept Chem, Hangzhou 310018, Peoples R China; [Wu, Xiao-Feng] Chinese Acad Sci, Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, Dalian 116023, Liaoning, Peoples R China; [Wu, Xiao-Feng] Univ Rostock, Leibniz Inst Katalyse eV, D-18059 Rostock, Germany in 2021.0, Cited 58.0. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5

A silver-mediated [3 + 2] cycloaddition of azomethine ylides with trifluoroacetimidoyl chlorides for the rapid assembly of 5-(trifluoromethyl)imidazoles has been developed. Notable features of the reaction include readily accessible reagents, a broad substrate scope, and high efficiency. The protocol can be successfully applied to construct the analogue of the specific allosteric modulator of GABA(A) receptors. The silver species could be recycled by a simple operation.

Product Details of 123-11-5. About 4-Methoxybenzaldehyde, If you have any questions, you can contact Yang, HF; Lu, SN; Chen, ZK; Wu, 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