Tag: M.W=100-200

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called N-Substituted S-Alkyl Carbamothioates in the Synthesis of Nitrogen-containing Functional Derivatives of the Adamantane Series, published in 2021-08-31, which mentions a compound: 56621-48-8, mainly applied to urea adamantyl preparation; urethane adamantyl preparation, Recommanded Product: 4-(Piperazin-1-yl)phenol.

A series of new asym. ureas, urethanes, and other derivatives of the framework structure I [R = OCH2C2OH, (2-methylquinolin-4-yl)aminyl, 4-methylpiperazin-1-yl.HCl, etc.] have been synthesized by the reactions of adamantan-1-yl isocyanate generated in situ by the thermolysis of S-Et (adamantan-1-yl)carbamothioate with nitrogen-containing nucleophiles and alcs.

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 56621-48-8, is researched, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2OJournal, Journal of the Electrochemical Society called Electrochemical oxidation of 4-(piperazin-1-yl)phenol in the presence of aryl sulfinic acids, Author is Nematollahi, Davood; Khazalpour, Sadegh; Amani, Amene, the main research direction is electrochem oxidation piperazinylphenol aryl sulfinic acid addition.COA of Formula: C10H14N2O.

Electrochem. oxidation of 4-(piperazin-1-yl)phenol was studied in the presence of aryl sulfinic acids as nucleophiles in EtOH/H2O mixture (10/90) using cyclic voltammetry and controlled-potential coulometry methods. The electrochem. generated p-quinone-imine participates in Michael type addition reaction with aryl sulfinic acids and via an EC mechanism converts to the new 2-(phenylsulfonyl)-4-(piperazin-1-yl)phenol derivatives The present work led to the development of a facile and environmentally friendly electrochem. method for the synthesis of some new 2-(phenylsulfonyl)-4-(piperazin-1-yl)phenol derivatives under green conditions.

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Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Computed Properties of C10H14N2O. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Synthesis and bioevaluation of 4,5,6,7-tetrahydrobenzo[d]isoxazole derivatives as melanogenesis inhibitors. Author is Song, Jiho; Lee, Kiho; Kim, Doran; Kim, Jongmin; Lee, Seul; Shin, Jun Seob; Kim, Dong-Seok; Min, Kyung Hoon.

A series of 4,5,6,7-tetrahydrobenzo[d]isoxazole derivatives I [R1 = H, tert-butyl; R2 = 4-OH, 4-OMe, 2-OMe, 4-CF3, 4-F] was prepared via amide coupling of arylpiperazines with corresponding 4,5,6,7-tetrahydrobenzo[d]isoxazole carboxylic acid chlorides. Addnl., 4,5,6,7-tetrahydrobenzo[d]isoxazole derivative I [R1 = H; R2 = 4-OEt] was synthesized by O-alkylation of compound I [R1 = H; R2 = 4-OH] using iodoethane. The synthesized compounds were tested for their melanogenesis inhibiting activity through potential down-regulation of tyrosinase expression. Among the tested compounds, compounds I [R1 = H; R2 = 4-OMe, 2-OMe, 4-CF3] displayed better melanogenesis inhibiting activity than well-known compounds Arbutin and Kojic acid, without intrinsic cytotoxicity.

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Reference of 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, is researched, Molecular C8H9N3S, CAS is 118430-78-7, about Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets. Author is Garcia-Sosa, Alfonso T.; Maran, Uko.

A delicate balance exists between a drug mol.’s toxicity and its activity. Indeed, efficacy, toxicity, and side effect problems are a common cause for the termination of drug candidate compounds and development projects. To address this, an antitarget interaction profile is built and combined with virtual screening and cross docking for new inhibitors of HIV-1 integrase, in order to consider possible off-target interactions as early as possible in a drug or hit discovery program. New ranking techniques using triangular numbers improve ranking information on the compounds and recovery of known inhibitors into the top compounds using different docking programs. This improved ranking arises from using consensus of ranks between docking programs and ligand efficiencies to derive a new rank, instead of using absolute score values, or average of ranks. The triangular number rerank also allowed the objective combination of results from several protein targets or screen conditions and several programs. Triangular number reranking conserves more information than other reranking methods such as average of scores or averages of ranks. In addition, the use of triangular numbers for reranking makes possible the use of thresholds with a justified leeway based on the number of available known inhibitors, so that the majority of the compounds above the threshold in ranks compare to the compounds that have known exptl. determined biol. activity. The battery of anti- or off-targets can be tailored to specific mol. or drug design challenges. In silico filters can thus be deployed in successive stages, for prefiltering, activity profiling, and for further anal. and triaging of libraries of compounds

Although many compounds look similar to this compound(118430-78-7)Reference of 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, numerous studies have shown that this compound(SMILES:NC1=CC(C2=CC=CS2)=NN1C), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Design, synthesis, and structure-activity relationship studies of novel pleuromutilin derivatives having a piperazine ring, published in 2016, which mentions a compound: 56621-48-8, mainly applied to pleuromutilin antibiotic preparation aryl pyrazinyl derivative structure activity relationship; drug design; molecular modeling; natural product; structure-based drug design, Recommanded Product: 56621-48-8.

A series of novel pleuromutilin derivatives I (R = 2-MeOC6H4, 3-MeOC6H4, 4-MeOC6H4, 2-MeC6H4, 3-MeC6H4, 4-MeC6H4, 2-HOC6H4, 3-HOC6H4, 4-HOC6H4, 2-NO2C6H4, 3-NO2C6H4, 4-NO2C6H4, 2-ClC6H4, 3-ClC6H4, 4-ClC6H4, Ph, Me), possessing piperazine moieties were synthesized under mild conditions. The in vitro antibacterial activities of these derivatives against Staphylococcus aureus and Escherichia coli were tested by the agar dilution method. Structure-activity relationship studies resulted in compounds 11b (R = 3-MeOC6H4), 13b (R = 3-HOC6H4), and 14a (R = 2-NO2C6H4) with the most potent in vitro antibacterial activity among the series (minimal inhibitory concentration of 0.0625-0.125 μg/mL). The binding of compounds 11b, 13b, and 14a to the E. coli ribosome was investigated by mol. modeling, and it was found that there is a reasonable correlation between the binding free energy and the antibacterial activity.

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Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Name: 4-(Piperazin-1-yl)phenol. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about SuFEx-enabled, chemoselective synthesis of triflates, triflamides and triflimidates. Author is Li, Bing-Yu; Voets, Lauren; Van Lommel, Ruben; Hoppenbrouwers, Fien; Alonso, Mercedes; Verhelst, Steven H. L.; De Borggraeve, Wim M.; Demaerel, Joachim.

The ex-situ generation of trifluoromethanesulfonyl fluoride (CF3SO2F) gas in a two chamber system, and its use as a new SuFEx handle to efficiently synthesize triflates and triflamides were reported. This broadly tolerated protocol lends itself to peptide modification or to telescoping into coupling reactions. Moreover, redesigning the SVI-F connector with a S=O → S=NR replacement furnished the analogous triflimidoyl fluorides as SuFEx electrophiles, which were engaged in the synthesis of rarely reported triflimidate esters. Notably, experiments showed H2O to be the key towards achieving chemoselective trifluoromethanesulfonation of phenols vs. amine groups, a phenomenon best explained-using ab initio metadynamics simulations-by a hydrogen bonded termol. transition state for the CF3SO2F triflylation of amines.

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Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 56621-48-8, is researched, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2OJournal, Article, Research Support, N.I.H., Extramural, Research Support, Non-U.S. Gov’t, Journal of Medicinal Chemistry called Itraconazole Side Chain Analogues: Structure-Activity Relationship Studies for Inhibition of Endothelial Cell Proliferation, Vascular Endothelial Growth Factor Receptor 2 (VEGFR2) Glycosylation, and Hedgehog Signaling, Author is Shi, Wei; Nacev, Benjamin A.; Aftab, Blake T.; Head, Sarah; Rudin, Charles M.; Liu, Jun O., the main research direction is itraconazole side chain analog preparation structure antitumor.Related Products of 56621-48-8.

Itraconazole is an antifungal drug that was recently found to possess potent antiangiogenic activity and anti-hedgehog (Hh) pathway activity. To search for analogs of itraconazole with greater potency and to understand the structure-activity relationship in both antiangiogenic and Hh targeting activity, 25 itraconazole side chain analogs were synthesized and assayed for inhibition of endothelial cell proliferation and Gli1 transcription in a medulloblastoma (MB) culture. Through this anal., we have identified analogs with increased potency for inhibiting endothelial cell proliferation and the Hh pathway, as well as VEGFR2 glycosylation that was recently found to be inhibited by itraconazole. An SAR anal. of these activities revealed that potent activity of the analogs against VEGFR2 glycosylation was generally driven by side chains of at least four carbons in composition with branching at the α or β position. SAR trends for targeting the Hh pathway were divergent from those related to HUVEC proliferation or VEGFR2 glycosylation. These results also suggest that modification of the sec-Bu side chain can lead to enhancement of the biol. activity of itraconazole.

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Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 56621-48-8, is researched, Molecular C10H14N2O, about Electrochemical Synthesis of a New Derivative of 1,4-Dihydroxybenzene: Embedded Nucleophile in the Structure of Electrophile, the main research direction is electrosynthesis derivative dihydroxybenzene embedded nucleophile structure electrophile.Electric Literature of C10H14N2O.

The electrochem. oxidation of 4-(Piperazin-1-yl)phenols (1a,b) was studied in the H2O, MeCN and nitromethan by cyclic voltammetry and controlled-potential coulometry. P-quinone-imines generated of oxidation 4-(Piperazin-1-yl)phenols after the hydrolysis reaction participate in Michael-addition reactions with released piperazine of hydrolysis reaction of p-quinone imines. The present work led to the development of a facile and environmentally friendly electrochem. method for the synthesis of a new derivative of 1,4-dihydroxybenzene under green conditions. The effect of H2O as a solute on the electrochem. response of 4-(Piperazin-1-yl)phenols (1a,b) was examined in the MeCN (AN) and nitromethane (NM) solvent.

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Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Staack, R. F.; Theobald, D. S.; Paul, L. D.; Springer, D.; Kraemer, T.; Maurer, H. H. published the article 《In vivo metabolism of the new designer drug 1-(4-methoxyphenyl)piperazine (MeOPP) in rat and identification of the human cytochrome P450 enzymes responsible for the major metabolic step》. Keywords: methoxyphenylpiperazine metabolism cytochrome P450 2D6.They researched the compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8 ).Recommanded Product: 56621-48-8. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:56621-48-8) here.

The in vivo metabolism of 1-(4-methoxyphenyl)piperazine (MeOPP), a novel designer drug, was studied in male Wistar rats. MeOPP was mainly O-demethylated to 1-(4-hydroxyphenyl)piperazine (4-HO-PP) in addition to degradation of the piperazine moiety. O-demethylation, the major metabolic step, was studied with cDNA-expressed human hepatic cytochrome P 450 (CYP) enzymes in pooled human liver microsomes (pHLM) and in single donor human liver microsomes with CYP2D6 poor metabolizer genotype (PM HLM). CYP2D6 catalyzed O-demethylation with apparent Km and Vmax values of 48.34 μM and 5.44 pmol min-1 pmol-1 CYP, resp. pHLM catalyzed the monitored reaction with an apparent Km = 204.80 μM and Vmax = 127.50 pmol min-1 mg-1 protein. The CYP2D6-specific chem. inhibitor quinidine (1 and 3 μM) significantly inhibited 4-HO-PP formation by 71.9% and by 98.5%, resp., in incubation mixtures with pHLM and 200 μM MeOPP. O-demethylation was significantly lower in PM HLM compared with pHLM (70.6%). These data suggest that polymorphically expressed CYP2D6 is the enzyme mainly responsible for MeOPP O-demethylation.

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Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8 ) is researched.Application of 56621-48-8.Kashif Amir, Muhammad; Hogarth, Graeme; Khan, Zaibunisa; Imran, Muhammad; Zia-ur-Rehman published the article 《Platinum(II) dithiocarbamate complexes [Pt(S2CNR2)Cl(PAr3)] as anticancer and DNA-damaging agents》 about this compound( cas:56621-48-8 ) in Inorganica Chimica Acta. Keywords: platinum dithiocarbamate complex preparation anticancer DNA binding; optimized mol structure platinum dithiocarbamate complex. Let’s learn more about this compound (cas:56621-48-8).

Following the fortunate discovery of cisplatin as an anticancer drug the search for new effective Pt-containing analogs with high potency but reduced side effects and resistance is of great importance. Herein, we report four new monofunctional platinum(II) dithiocarbamate complexes, [Pt(S2CNR2)Cl(PAr3)], and their activity against selected cancer cell lines. DFT-optimized structures reveal steric hindrance, similar to phenanthriplatin, from an axial C-H site of the triarylphosphine. High activity against selected cancer cell lines, MCF-7 > LU > Hepa-IcIc7, can be attributed to the axial protection offered by the aromatic C-H moiety, together with the lipophilicity and formation of bulkier and more hydrophobic DNA adducts. DNA binding, denaturing and plasmid cleavage studies demonstrate their potential to cleave DNA via electrostatic or covalent interactions. DFT and exptl. studies show the ability to replace chloride with different nucleophiles; substitution with smaller nucleophiles being fast while with larger nucleophiles is slow.

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Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem