Month: October 2021

An article Synthesis and Biological Activities of Some New Benzotriazinone Derivatives Based on Molecular Docking; Promising HepG2 Liver Carcinoma Inhibitors WOS:000523299700057 published article about PHARMACOLOGICAL EVALUATION; LIGANDS; GROWTH in [El Rayes, Samir M.; Ali, Ibrahim A. I.; Mahmoud, Mostafa A. A.] Suez Canal Univ, Fac Sci, Dept Chem, Ismailia 41529, Egypt; [Fathalla, Walid] Port Said Univ, Fac Engn, Phys & Math Engn Dept, Port Said 42526, Egypt in 2020, Cited 24. COA of Formula: C7H5N3O. The Name is Benzo[d][1,2,3]triazin-4(3H)-one. Through research, I have a further understanding and discovery of 90-16-4

In one-pot strategy, diazotization of methyl anthranilate 5 followed by addition of amino acid ester hydrochloride, we have prepared methyl-2-(4-oxobenzotriazin-3(4H)-yl)-alkanoates 6a-c. Starting with hydrazides 7a,b, N-alkyl-2-(4-oxobenzotriazin-3(4H)-yl)-alkanamides 9-10(a-h) and methyl-2-(2-(4-oxobenzotriazin-3(4H)-yl)alkanamido)alkanoates 11- 12(a-e) were prepared via azide coupling. Hydrazones 13-15 were prepared via condensation of hydrazides 7a,b with 4-methoxybenzaldehyde, 4-dimethylaminobenzaldehyde, and/or arabinose. Molecular docking was done for synthesized compounds using MOE 2008-10 software. The compounds 9a, 12a, 12c, 13a, 13b, and 14b have the most pronounced strong binding affinities toward the target E. coli Fab-H receptor, whereas compounds 3, 11e, 12e, and 13a have the most pronounced strong binding affinities toward the target vitamin D receptor. The in vitro antibacterial activities of the highest binding affinity docked compounds were tested against E. coli, Staphylococcus aureus, and Salmonella spp. Majority of the tested compounds showed effective positive results against E. coli, while they were almost inactive against Staphylococcus aureus and Salmonella spp. The in vitro cytotoxic activities of the highest binding affinity-docked compounds were tested against the human liver carcinoma cell line (HepG2). Some compounds showed potent cytotoxic activity with low IC50 values, especially for 3 (6.525 mu M) and 13a (10.97 mu M) than that for standard drug doxorubicin (2.06 mu M).

About Benzo[d][1,2,3]triazin-4(3H)-one, If you have any questions, you can contact El Rayes, SM; Ali, IAI; Fathalla, W; Mahmoud, MAA or concate me.. COA of Formula: C7H5N3O

Reference:
Patent; Guizhou University; Xue Wei; Zhang Juping; Zhang Cheng; Chen Lijuan; Wang Yihui; Li Pu; Li Qin; Ruan Xianghui; Wang Xiaobin; Wu Xiaoqiong; Wang Jun; (24 pag.)CN107602493; (2019); B;,
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

An article Suspending Ion Electrocatalysts in Charged Metal-Organic Frameworks to Improve the Conductivity and Selectivity in Electroorganic Synthesis WOS:000476043600001 published article about EFFICIENT; OXIDATION; REDUCTION; OXINDOLES; CATALYSTS; AMMONIA; LIQUIDS; CARBON; CO2 in [Guo, Wei-Wei; Zhang, Chi; Ye, Ji-Jie; Liu, Zi-Kun; Chen, Kai; Wu, Chuan-De] Zhejiang Univ, Dept Chem, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China in 2019, Cited 85. The Name is Diphenylmethanamine. Through research, I have a further understanding and discovery of 91-00-9. COA of Formula: C13H13N

Electroorganic synthesis is an environmentally friendly alternative to traditional synthetic methods; however, the application of this strategy is heavily hindered by low product selectivity. Metal-organic frameworks (MOFs) exhibit high selectivity in numerous catalytic reactions; however, poor conductivity heavily limits the application of MOFs in electroorganic synthesis. To realize the electrocatalytic application of MOFs in selective electroorganic synthesis, a practically applicable strategy by suspending ion electrocatalysts in charged MOFs is herein reported. This approach could markedly improve the product selectivity in electroorganic synthesis. In the electrocatalytic oxidative self-coupling of benzylamine experiments, the imine product selectivity is markedly improved from 61.3 to 94.9 %, when the MOF-based electrocatalyst is used instead of the corresponding homogeneous electrocatalyst under the identical conditions. Therefore, this work opens a new route to improve the product selectivity in electroorganic synthesis.

COA of Formula: C13H13N. About Diphenylmethanamine, If you have any questions, you can contact Guo, WW; Zhang, C; Ye, JJ; Liu, ZK; Chen, K; Wu, CD or concate me.

Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics

SDS of cas: 91-00-9. Raimbault, A; Ma, CMA; Ferri, M; Baurer, S; Bonnet, P; Bourg, S; Lammerhofer, M; West, C in [Raimbault, Adrien; Cam Mai Anh Ma; Bonnet, Pascal; Bourg, Stephane; West, Caroline] Univ Orleans, Inst Organ & Analyt Chem, CNRS UMR 7311, Rue Chartres BP 6759, F-45067 Orleans, France; [Ferri, Martina; Baeurer, Stefanie; Laemmerhofer, Michael] Univ Tubingen, Inst Pharmaceut Sci, Pharmaceut Bio Anal, Morgenstelle 8, D-72076 Tubingen, Germany; [Ferri, Martina] Univ Perugia, Dept Pharmaceut Sci, Via Liceo 1, I-06123 Perugia, Italy published Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach in 2020, Cited 43. The Name is Diphenylmethanamine. Through research, I have a further understanding and discovery of 91-00-9.

Chiralpak ZWIX(+) and ZWIX(-), are brush-type bonded-silica chiral stationary phases (CSPs), based on complex diastereomeric Cinchona alkaloids derivatives bearing both a positive and a negative charge. In the present study, we aimed to improve the understanding of retention and enantioseparation mechanisms of these CSPs employed in supercritical fluid chromatography (SFC). For this purpose, 9 other stationary phases were used as comparison systems: two of them are commercially available and bear only a positive charge (Chiralpak QN-AX and QD-AX) and the 7 others were designed purposely to be structurally similar to the parent ZWIX phases, but miss some portion of the complex ligand. First, cluster analysis was employed to identify similar and dissimilar behavior among the 11 stationary phases, where ionic interactions appeared to dominate the observed differences. Secondly, the stationary phases were characterized with linear solvation energy relationships (LSER) based on the SFC analysis of 161 achiral analytes and a modified version of the solvation parameter model to include ionic interactions. This served to compare the interaction capabilities for the 11 stationary phases and showed in particular the contribution of attractive and repulsive ionic interactions. Then the ZWIX phases were characterized for their enantioseparation capabilities with a set of 58 racemic probes. Discriminant analysis was applied to explore the molecular structural features that are useful to successful enantioseparation on the ZWIX phases. In particular, it appeared that the presence of positive charges in the analyte is causing increased retention but is not necessarily a favorable feature to enantiorecognition. On the opposite, the presence of negative charges in the analyte favors early elution and enantiorecognition. Finally, a smaller set of 30 pairs of enantiomers, selected by their structural diversity and different enantioseparation values on the ZWIX phases, were analyzed on all chiral phases to observe the contribution of each structural fragment of the chiral ligand on enantioselectivity. Molecular modelling of the ligands also helped in understanding the three-dimensional arrangement of each ligand, notably the intra-molecular hydrogen bonding or the possible contribution of ionic interactions. In the end, each structural element in the ZWIX phases appeared to be a significant contributor to successful enantioresolution, whether they contribute as direct interaction groups (ion-exchange functions) or as steric constraints to orientate the interacting groups towards the analytes. (C) 2019 Elsevier B.V. All rights reserved.

SDS of cas: 91-00-9. About Diphenylmethanamine, If you have any questions, you can contact Raimbault, A; Ma, CMA; Ferri, M; Baurer, S; Bonnet, P; Bourg, S; Lammerhofer, M; West, C or concate me.

Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics

In 2019 EUR J ORG CHEM published article about ONE-POT SYNTHESIS; CATALYZED KNOEVENAGEL CONDENSATION; METAL-ORGANIC FRAMEWORK; FACILE SYNTHESIS; CHEMOSELECTIVE REDUCTION; GREEN PROCEDURE; IONIC LIQUID; EFFICIENT; NITRILES; HYDRATION in [Rupanawar, Bapurao D.; Suryavanshi, Gurunath] CSIR, Natl Chem Lab, Chem Engn & Proc Dev Div, Dr Homi Bhaba Rd, Pune 411008, Maharashtra, India; [Rupanawar, Bapurao D.; Suryavanshi, Gurunath] Acad Sci & Innovat Res AcSIR, Ghaziabad 201002, Uttar Pradesh, India; [Veetil, Sruthi M.] CSIR, Natl Chem Lab, Cent NMR Facil, Dr Homi Shaba Rd, Pune 411008, Maharashtra, India in 2019, Cited 74. The Name is Diphenylmethanamine. Through research, I have a further understanding and discovery of 91-00-9. Product Details of 91-00-9

Hypervalent iodine-mediated oxidative olefination of amines with an active methylene compound provides a rapid gateway towards the formation of electrophilic alkenes under mild reaction conditions in good to excellent yields. This is an efficient protocol for the preparation of substituted electrophilic alkenes.

Product Details of 91-00-9. About Diphenylmethanamine, If you have any questions, you can contact Rupanawar, BD; Veetil, SM; Suryavanshi, G or concate me.

Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics

Recommanded Product: 2-(4-Aminophenyl)ethanol. Recently I am researching about FUEL; DRIVEN; ROTAXANE; REDUCTION; MOTIONS; ROTARY; ACID, Saw an article supported by the Engineering and Physical Sciences Research Council (EPSRC)UK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/P027067/1]; EU (European Research Council (ERC))European Research Council (ERC) [786630]; Marie Sklodowska-Curie Individual Postdoctoral Fellowship [EC746993]; CESaRe project from La Sapienza. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Biagini, C; Fielden, SDP; Leigh, DA; Schaufelberger, F; Di Stefano, S; Thomas, D. The CAS is 104-10-9. Through research, I have a further understanding and discovery of 2-(4-Aminophenyl)ethanol

We report on catalysis by a fuel-induced transient state of a synthetic molecular machine. A [ 2] rotaxane molecular shuttle containing secondary ammonium/amine and thiourea stations is converted between catalytically inactive and active states by pulses of a chemical fuel (trichloroacetic acid), which is itself decomposed by the machine and/or the presence of additional base. The ON-state of the rotaxane catalyzes the reduction of a nitrostyrene by transfer hydrogenation. By varying the amount of fuel added, the lifetime of the rotaxane ON-state can be regulated and temporal control of catalysis achieved. The system can be pulsed with chemical fuel several times in succession, with each pulse activating catalysis for a time period determined by the amount of fuel added. Dissipative catalysis by synthetic molecular machines has implications for the future design of networks that feature communication and signaling between the components.

Recommanded Product: 2-(4-Aminophenyl)ethanol. About 2-(4-Aminophenyl)ethanol, If you have any questions, you can contact Biagini, C; Fielden, SDP; Leigh, DA; Schaufelberger, F; Di Stefano, S; Thomas, D or concate me.

Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics

HPLC of Formula: C13H13N. I found the field of Chemistry very interesting. Saw the article Suspending Ion Electrocatalysts in Charged Metal-Organic Frameworks to Improve the Conductivity and Selectivity in Electroorganic Synthesis published in 2019, Reprint Addresses Wu, CD (corresponding author), Zhejiang Univ, Dept Chem, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China.. The CAS is 91-00-9. Through research, I have a further understanding and discovery of Diphenylmethanamine.

Electroorganic synthesis is an environmentally friendly alternative to traditional synthetic methods; however, the application of this strategy is heavily hindered by low product selectivity. Metal-organic frameworks (MOFs) exhibit high selectivity in numerous catalytic reactions; however, poor conductivity heavily limits the application of MOFs in electroorganic synthesis. To realize the electrocatalytic application of MOFs in selective electroorganic synthesis, a practically applicable strategy by suspending ion electrocatalysts in charged MOFs is herein reported. This approach could markedly improve the product selectivity in electroorganic synthesis. In the electrocatalytic oxidative self-coupling of benzylamine experiments, the imine product selectivity is markedly improved from 61.3 to 94.9 %, when the MOF-based electrocatalyst is used instead of the corresponding homogeneous electrocatalyst under the identical conditions. Therefore, this work opens a new route to improve the product selectivity in electroorganic synthesis.

About Diphenylmethanamine, If you have any questions, you can contact Guo, WW; Zhang, C; Ye, JJ; Liu, ZK; Chen, K; Wu, CD or concate me.. HPLC of Formula: C13H13N

Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics

Recently I am researching about STRESS-MEDIATED APOPTOSIS; THIOREDOXIN REDUCTASE; ARSENIC-BINDING; CELLS; DESIGN; QUANTIFICATION; IDENTIFICATION; FLUOROGENS; CONVERSION; THIOLS, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21778028]; Ministry of Science and Technology National Key RD Project [2018YFE0205100]; Natural Science Foundation of Gansu Province [18JR4RA003]; 111 projectMinistry of Education, China – 111 Project. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Hu, GD; Jia, HY; Hou, YN; Han, X; Gan, L; Si, J; Cho, DH; Zhang, H; Fang, JG. The CAS is 104-10-9. Through research, I have a further understanding and discovery of 2-(4-Aminophenyl)ethanol. SDS of cas: 104-10-9

Vicinal dithiol-containing proteins (VDPs) play an important role in maintaining the structures and functions of proteins mainly through the conversion between dithiols and disulfide bonds. The content of VDPs also reflects the redox status of an organism. To specifically and expediently detect VDPs, we developed a turn-on monoarsenical fluorescent probe (NEP) based on the intramolecular charge transfer mechanism. Naphthalimide was chosen as a fluorophore and linked with the receptor moiety (cyclic dithiarsolane) via carbamate segment. In the presence of VDPs, NEP displays a strong green fluorescence signal produced by the cyclic dithiarsolane cleavage and subsequent intramolecular cyclization to liberate the fluorophore. Furthermore, NEP exhibits high selectivity toward VDPs over other protein thiols and low molecular weight thiols. The favorable properties of NEP enable it readily to detect VDPs in live cells and in vivo. In addition, a remarkable decrease of VDPs in parkinsonism was disclosed for the first time, highlighting that regulating VDPs level has a therapeutic potential for parkinsonism.

SDS of cas: 104-10-9. About 2-(4-Aminophenyl)ethanol, If you have any questions, you can contact Hu, GD; Jia, HY; Hou, YN; Han, X; Gan, L; Si, J; Cho, DH; Zhang, H; Fang, JG or concate me.

Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics

Product Details of 90-16-4. In 2019 BIOORG CHEM published article about 1,2,3-BENZOTRIAZIN-4-ONE DERIVATIVES; NEMATOCIDAL ACTIVITIES; INDOLES; 1-ALKYNES; RV1885C; 2-HETEROARYL; DOCKING; PROTEIN; 2-ARYL in [Reddy, Gangireddy Sujeevan; Snehalatha, Ampalam Venkata; Edwin, Rebecca Kristina; Hossain, Kazi Amirul; Misra, Parimal; Pal, Manojit] Dr Reddys Inst Life Sci, Univ Hyderabad Campus, Hyderabad 500046, India; [Reddy, Gangireddy Sujeevan; Giliyaru, Varadaraj Bhat; Hariharapura, Raghu Chandrashekhar; Shenoy, G. Gautham] Manipal Acad Higher Educ, Manipal Coll Pharmaceut Sci, Manipal 576104, Karnataka, India in 2019, Cited 38. The Name is Benzo[d][1,2,3]triazin-4(3H)-one. Through research, I have a further understanding and discovery of 90-16-4.

The chorismate mutase (CM) is considered as an attractive target for the identification of potential antitubercular agents due to its absence in animals but not in bacteria. A series of 3-indolylmethyl substituted pyrazolo-triazinone derivatives were designed and docked into CM in silico as potential inhibitors. These compounds were efficiently synthesized using the Pd/Cu-catalyzed coupling-cyclization in a single pot involving the construction of indole ring. The methodology was later extended to the preparation of corresponding benzo analogs of pyrazolotriazinones i.e. 3-indolylmethyl substituted benzotriazinone derivatives. Several of these novel compounds showed significant inhibition of CM when tested in vitro at 30 mu M. The SAR (Structure-Activity-Relationship) studies suggested that benzotriazinone moiety was more favorable over the pyrazolotriazinone ring. The two best active compounds showed IC50 similar to 0.4-0.9 mu M (better than the reference/known compounds used) and no toxicity till 30 mu M in vitro.

About Benzo[d][1,2,3]triazin-4(3H)-one, If you have any questions, you can contact Reddy, GS; Snehalatha, AV; Edwin, RK; Hossain, KA; Giliyaru, VB; Hariharapura, RC; Shenoy, GG; Misra, P; Pal, M or concate me.. Product Details of 90-16-4

Reference:
Patent; Guizhou University; Xue Wei; Zhang Juping; Zhang Cheng; Chen Lijuan; Wang Yihui; Li Pu; Li Qin; Ruan Xianghui; Wang Xiaobin; Wu Xiaoqiong; Wang Jun; (24 pag.)CN107602493; (2019); B;,
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

I found the field of Pharmacology & Pharmacy very interesting. Saw the article Studies towards the development of a PET radiotracer for imaging of the P2Y(1) receptors in the brain: synthesis, F-18-labeling and preliminary biological evaluation published in 2019.0. Recommanded Product: 104-10-9, Reprint Addresses Moldovan, RP (corresponding author), Helmholtz Zentrum Dresden Rossendorf, Inst Radiopharmaceut Canc Res, Permoserstr 15, D-04318 Leipzig, Germany.. The CAS is 104-10-9. Through research, I have a further understanding and discovery of 2-(4-Aminophenyl)ethanol

Purine nucleotides such as ATP and ADP are important extracellular signaling molecules in almost all tissues activating various subtypes of purinoreceptors. In the brain, the P2Y(1) receptor (P2Y(1)R) subtype mediates trophic functions like differentiation and proliferation, and modulates fast synaptic transmission, both suggested to be affected in diseases of the central nervous system. Research on P2Y(1)R is limited because suitable brain-penetrating P2Y(1)R-selective tracers are not yet available. Here, we describe the first efforts to develop an F-18-labeled PET tracer based on the structure of the highly affine and selective, non-nucleotidic P2Y(1)R allosteric modulator 1-(2-[2-(tert-butyl)phenoxy]pyridin-3-yl)-3-[4- (trifluoromethoxy)phenyl]urea (7). A small series of fluorinated compounds was developed by systematic modification of the p-(trifluoromethoxy)phenyl, the urea and the 2-pyridyl subunits of the lead compound 7. Additionally, the p-(trifluoromethoxy)phenyl subunit was substituted by carborane, a boron-rich cluster with potential applicability in boron neutron capture therapy (BNCT). By functional assays, the new fluorinated derivative 1-{2-[2-(tert-butyl)phenoxy]pyridin-3-yl}-3-[4-(2-fluoroethyl) phenyl]urea (18) was identified with a high P2Y(1)R antagonistic potency (IC50 = 10 nM). Compound [F-18] 18 was radiosynthesized by using tetra-n-butyl ammonium [F-18]fluoride with high radiochemical purity, radiochemical yield and molar activities. Investigation of brain homogenates using hydrophilic interaction chromatography (HILIC) revealed [F-18]fluoride as major radiometabolite. Although [F-18]18 showed fast in vivo metabolization, the high potency and unique allosteric binding mode makes this class of compounds interesting for further optimizations and investigation of the theranostic potential as PET tracer and BNCT agent. (C) 2019 Elsevier Masson SAS. All rights reserved.

Recommanded Product: 104-10-9. About 2-(4-Aminophenyl)ethanol, If you have any questions, you can contact Moldovan, RP; Wenzel, B; Teodoro, R; Neumann, W; Dukic-Stefanovic, S; Kraus, W; Rong, PJ; Deuther-Conrad, W; Hey-Hawkins, E; Krugel, U; Brust, P or concate me.

Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics

Computed Properties of C7H5N3O. Barak, DS; Mukhopadhyay, S; Dahatonde, DJ; Batra, S in [Barak, Dinesh S.; Mukhopadhyay, Sushobhan; Dahatonde, Dipak J.; Batra, Sanjay] CSIR Cent Drug Res Inst, Med & Proc Chem Div, Sect 10,Jankipuram Extens,Sitapur Rd, Lucknow 226031, Uttar Pradesh, India; [Batra, Sanjay] CSIR HRDC, Postal Staff Coll Area, Sect 19, Ghaziabad 201002, India published NaNO2/I-2 as an alternative reagent for the synthesis of 1,2,3-benzotriazin-4(3H)-ones from 2-aminobenzamides in 2019, Cited 39. The Name is Benzo[d][1,2,3]triazin-4(3H)-one. Through research, I have a further understanding and discovery of 90-16-4.

An efficient transformation of 2-aminobenzamides to 1,2,3-benzotriazin-4(3H)-ones in the presence of sodium nitrite (NaNO2) and Iodine (I-2) is described. The reaction is proposed to proceed via formation of nitrosyl halide that induces nitrosylation of the amino group of 2-aminobenzamide leading to diazotization followed by intramolecular cyclization. (C) 2018 Elsevier Ltd. All rights reserved.

About Benzo[d][1,2,3]triazin-4(3H)-one, If you have any questions, you can contact Barak, DS; Mukhopadhyay, S; Dahatonde, DJ; Batra, S or concate me.. Computed Properties of C7H5N3O

Reference:
Patent; Guizhou University; Xue Wei; Zhang Juping; Zhang Cheng; Chen Lijuan; Wang Yihui; Li Pu; Li Qin; Ruan Xianghui; Wang Xiaobin; Wu Xiaoqiong; Wang Jun; (24 pag.)CN107602493; (2019); B;,
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics