Tag: 200-300

New Pyrazolium-carboxylates as Structural Analogues of the Pseudo-Cross-Conjugated Betainic Alkaloid Nigellicine was written by Schmidt, Andreas;Habeck, Tobias;Kindermann, Markus Karl;Nieger, Martin. And the article was included in Journal of Organic Chemistry in 2003.Safety of Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate The following contents are mentioned in the article:

Pyrazolium-3-carboxylates were examined as relatives of the betainic alkaloid nigellicine and as new examples of the sparsely populated class of heterocyclic pseudo-cross-conjugated mesomeric betaines. The title compounds were prepared in a 4-step procedure starting from EtO₂CCOCH:CROH [R = Me, Ph] which were cyclized with substituted hydrazines. The resulting isomeric pyrazole esters were separated and quaternized with di-Me sulfate in the presence of nitrobenzene to pyrazolium esters. Saponification was best accomplished in diluted sulfuric acid, which resulted in the formation of the pseudo-cross-conjugated mesomeric betaines in one step. Protonation to the corresponding carboxylic acids required the treatment of the betaines with tetrafluoroboric acid in dichloromethane. The effect of neg. solvatochromism proves the charge separation in the ground state of the mols. X-ray crystallog. analyses, semiempirical calculations, and ESI mass spectrometric measurements were performed to gain knowledge about the phenomenon of pseudo-cross-conjugation. This study involved multiple reactions and reactants, such as Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8Safety of Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate).

Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8) belongs to pyrazole derivatives. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Pyrazole rings have been used as core components of several leading non-steroidal anti-inflammatory drugs (NSAIDs) and antihypertensive drugs. It has also been found to be useful as a bifunctional ligand for metal catalysis.Safety of Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors was written by Shcherbakov, Dmitriy;Baev, Dmitriy;Kalinin, Mikhail;Dalinger, Alexander;Chirkova, Varvara;Belenkaya, Svetlana;Khvostov, Aleksei;Krut’ko, Dmitry;Medved’ko, Aleksei;Volosnikova, Ekaterina;Sharlaeva, Elena;Shanshin, Daniil;Tolstikova, Tatyana;Yarovaya, Olga;Maksyutov, Rinat;Salakhutdinov, Nariman;Vatsadze, Sergey. And the article was included in ACS Medicinal Chemistry Letters in 2022.Quality Control of Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate The following contents are mentioned in the article:

For the first time, derivatives of 3,7-diazabicyclo[3.3.1]nonane (bispidine) were proposed as potential inhibitors of the SARS-CoV-2 main viral protease (3-chymotrypsin-like, 3CLpro). Based on the created pharmacophore model of the active site of the protease, a group of compounds were modeled and tested for activity against 3CLpro. The 3CLpro activity was measured using the fluorogenic substrate Dabcyl-VNSTLQSGLRK(FAM)MA; the efficiency of the proposed approach was confirmed by comparison with literature data for ebselen and disulfiram. The results of the experiments performed with bispidine compounds showed that 14 compounds exhibited activity in the concentration range 1-10μM, and 3 samples exhibited submicromolar activity. The structure-activity relationship studies showed that the mols. containing a carbonyl group in the ninth position of the bicycle exhibited the maximum activity. Based on the exptl. and theor. results obtained, further directions for the development of this topic were proposed. This study involved multiple reactions and reactants, such as Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8Quality Control of Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate).

Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. The presence of both electronegative nitrogen atoms in the pyrazole ring reduces the electron density of the C3- and C5-positions leaving electron density of C4-position unaltered. Thus the C4-position is vulnerable to electrophilic attack. The C3 electrophilic-position may undergo deprotonation in the presence of a strong base leading to ring opening.Quality Control of Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles was written by Batchu, Harikrishna;Bhattacharyya, Soumya;Kant, Ruchir;Batra, Sanjay. And the article was included in Journal of Organic Chemistry in 2015.HPLC of Formula: 17355-75-8 The following contents are mentioned in the article:

A palladium-catalyzed pyrazole-directed regioselective oxidative C(sp2)-H functionalization of the N-Ph ring in N-phenylpyrazoles to afford either a biaryl bis-pyrazole I [R¹ = H, Me, Ph, and CO₂Et; R² = H, CO₂Et; R³ = H, Me, Pr, etc.; R = H, Me, Cl, etc.] (via dehydrogenative homocoupling) or N-(o-hydroxyphenyl)pyrazole II [R¹ = H, Me, Ph, and CO₂Et; R² = H, CO₂Et; R³ = H, Me, Pr, etc.; R = H, Me, Cl, etc.] (via C-H oxygenation) or their mixture is described. The substitutions on the N-Ph ring and the pyrazole ring and the dilution of the reaction medium with respect to the TFA/TFAA mixture (substrate concentration) have a remarkable influence on the outcome of the reaction. It was discovered that if the reactions were performed under highly dilute conditions (ca. 10 times) then N-(o-hydroxyphenyl)pyrazoles were the major or the sole products. This study involved multiple reactions and reactants, such as Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8HPLC of Formula: 17355-75-8).

Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. HPLC of Formula: 17355-75-8

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Direct-to-Biology Accelerates PROTAC Synthesis and the Evaluation of Linker Effects on Permeability and Degradation was written by Hendrick, Charles E.;Jorgensen, Jeff R.;Chaudhry, Charu;Strambeanu, Iulia I.;Brazeau, Jean-Francois;Schiffer, Jamie;Shi, Zhicai;Venable, Jennifer D.;Wolkenberg, Scott E.. And the article was included in ACS Medicinal Chemistry Letters in 2022.Computed Properties of C12H20N4O2 The following contents are mentioned in the article:

A platform to accelerate optimization of proteolysis targeting chimeras (PROTACs) had been developed using a direct-to-biol. (D2B) approach with a focus on linker effects. A large number of linker analogs-varying length, polarity, and rigidity-were rapidly prepared and characterized in four cell-based assays by streamlining time-consuming steps in synthesis and purification The expansive data set informs on linker structure activity relationships for in-cell E3 ligase target engagement, degradation, permeability, and cell toxicity. Unexpected aspects of linker SAR were discovered, consistent with literature reports on “linkerol.”, and the method dramatically speeds up empirical optimization. Physicochem. property trends emerged, and the platform had the potential to rapidly expand training sets for more complex prediction models. In-depth validation studies were carried out and confirm the D2B platform was a valuable tool to accelerate PROTAC design-make-test cycles. This study involved multiple reactions and reactants, such as tert-Butyl 3-(aminomethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate (cas: 1251000-58-4Computed Properties of C12H20N4O2).

tert-Butyl 3-(aminomethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate (cas: 1251000-58-4) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Pyrazoles and pyrimidines have diverse biological and pharmacological activities. There are a number of antimicrobial compounds containing pyrazole moiety as the core unit. Pyrazofurin is important antimicrobial drug and 2-methylpyrimidine-4-ylamine derivatives I and II were found to be effective inhibitors of Escherichia coli PDHc-E1 with antibacterial and antifungal activity.Computed Properties of C12H20N4O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Synthesis and biological screening of novel 5-(5-aryl-1-phenyl-1H-pyrazol-3-yl)-3-aryl-1,2,4-oxadiazole derivatives was written by Kulkarni, Pravin S.;Sarda, Swapnil R.;Khandebharad, Amol U.;Farooqui, Mazahar;Agrawal, Brijmohan R.. And the article was included in Asian Journal of Chemistry in 2022.Reference of 17355-75-8 The following contents are mentioned in the article:

A new series of 5-(5-aryl-1-phenyl-1H-pyrazol-3-yl)-3-aryl-1,2,4-oxadiazole I [R = H, 4-Cl, 3,4-(OCH₃)₂; R¹ = H, 4-F, 2-CH₃, 3-CH₃, 4-CH₃] have been synthesized by a cyclocondensation reaction of Et 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate II with aryl imidoxime R¹C₆H₄C(=NOH)NH₂. The newly synthesized pyrazolyl-1,2,4-oxadiazole derivatives I were characterized by spectroscopic techniques and screened for in vitro antibacterial activity against Bacillus subtilis (NCIM 2063), Staphylococcus albus (NCIM 2178), Escherichia coli (NCIM 2574), Proteus mirabilis (NCIM 2388) and in vitro antifungal activity against Aspergillus niger (ATCC 504) Candida albicans (NCIM 3100). This study involved multiple reactions and reactants, such as Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8Reference of 17355-75-8).

Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Reference of 17355-75-8

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole carboxamides and carboxylic acids as protein kinase inhibitors in aberrant eukaryotic signal transduction: Induction of growth arrest in MCF-7 cancer cells was written by Persson, Tobias;Yde, Christina W.;Rasmussen, Jakob E.;Rasmussen, Tine L.;Guerra, Barbara;Issinger, Olaf-Georg;Nielsen, John. And the article was included in Organic & Biomolecular Chemistry in 2007.SDS of cas: 17355-75-8 The following contents are mentioned in the article:

Densely functionalized pyrazolecarboxamides, e.g. I, and pyrazolecarboxylic acids were prepared through saponification and transamidation of ester-functionalized pyrazoles. This synthetic protocol allowed for three diversifying steps in which appendages on the pyrazole scaffold were adjusted to optimize inhibition of protein kinases. Thirty-five analogs were tested in CK2, AKT1, PKA, PKCα, and SAPK2a (p38) kinase inhibition bioassays. Blocking of these kinases may lead to effective therapies for treating inflammatory diseases and cancer. In order to investigate potential biol. activity, MCF-7 human breast cancer cells were incubated with the most promising derivatives Two analogs caused changes in MCF-7 cell growth, one of them through cell cycle arrest demonstrated by cell cycle anal. This study involved multiple reactions and reactants, such as Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8SDS of cas: 17355-75-8).

Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.SDS of cas: 17355-75-8

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Synthesis, central and peripheral benzodiazepine receptor affinity of pyrazole and pyrazole-containing polycyclic derivatives was written by Campagna, Francesco;Palluotto, Fausta;Carotti, Angelo;Maciocco, Elisabetta. And the article was included in Farmaco in 2004.SDS of cas: 17355-75-8 The following contents are mentioned in the article:

A series of new pyrazole-condensed 6,5,5 tricyclic compounds were synthesized and tested to evaluate their binding affinities at both central (CBR) and peripheral (PBR) benzodiazepine receptors. Some 1-aryl-5-phenylpyrazole derivatives were also prepared and tested for comparison with their corresponding rigid tricyclic analogs. Among the newly synthesized 1-aryl-1,4-dihydro-indeno[1,2-c]pyrazoles bearing both an ethoxycarbonyl group at position 3 and a carbonyl function at the position 4, e.g., I, emerged as a new potent (IC₅₀ = 26.4 nM) and selective CBR ligand. The 4-oxo-1-aryl-1,4-dihydro-indeno[1,2-c]pyrazole diethylamide derivative, e.g., II, was instead identified as a relatively potent (IC₅₀ = 124 nM) but highly selective PBR ligand. This study involved multiple reactions and reactants, such as Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8SDS of cas: 17355-75-8).

Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate (cas: 17355-75-8) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.SDS of cas: 17355-75-8

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

On October 22, 2020, Lancellotti, Patrizio; Oury, Cecile; Pirotte, Bernard; Musumeci, Lucia; Jacques, Nicolas; Goffin, Eric published a patent.Recommanded Product: 4-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine The title of the patent was New pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling. And the patent contained the following:

New pyrimidine derivatives together with a membrane penetrating agent, optionally with a detectable isotope and pharmaceutical composition for use in treatment or prevention of Gram-neg. bacterial infection in a host mammal in need of such treatment or prevention and use as inhibitors of Gram-neg. biofilm formation on a surface of biomaterial or medical device, particularly of cardiovascular device such as prosthetic heart valve or pacemakers. New pyrimidine derivatives together with a membrane penetrating agent; for use as radiotracer in diagnosing or prognosing Gram-neg. bacterial infection in a host mammal. The experimental process involved the reaction of 4-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine(cas: 85426-79-5).Recommanded Product: 4-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

The Article related to antibacterial pyrimidine derivative, Pharmacology: Effects Of Antimicrobials and Parasiticides and other aspects.Recommanded Product: 4-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

On June 13, 2013, Houze, Jonathan B.; Dransfield, Paul; Pattaropong, Vatee; Du, Xiaohui; Fu, Zice; Lai, Sujen; Park, Jaehyeon; Jiao, Xianyun; Kohn, Todd J.; Aicher, Thomas Daniel; Boyd, Steven Armen; Bencsik, Josef; Condroski, Kevin Ronald; Hinklin, Ronald Jay; Kraser, Christopher F.; Pratt, Scott; Singh, Ajay; Wenglowsky, Steven Mark; Boys, Mark Laurence; Chicarelli, Mark Joseph; Mohr, Peter J.; Cardozo, Mario G. published a patent.Reference of 1-(4-Methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-ol The title of the patent was Urea compounds as GKa activators and their preparation. And the patent contained the following:

The invention relates to urea compounds of formula I, to pharmaceutical compositions comprising the compounds, to a process for making the compounds and to the use of the compounds in the treatment of diseases and disorders that would benefit from activation of glucokinase. Compounds of formula I wherein R1 is H, alkyl, alkenyl, haloalkyl, etc.; R2 is H, alkyl and halo; R3 is H, halo, alkoxycarbonyl, etc.; G is C and N; P is H and LR6; L is O, S, CH2 and CH2O; R6 is aryl aralkyl, heterocyclyl, etc.; and with proviso; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by a multistep procedure (procedure given). All the invention compounds were evaluated for their glucokinase activation activity (data given). The experimental process involved the reaction of 1-(4-Methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-ol(cas: 924909-16-0).Reference of 1-(4-Methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-ol

The Article related to pyridinyl urea preparation glucokinase activator, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Reference of 1-(4-Methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-ol

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Verma, Anil; Kumar, Vinod; Khare, Rajshree; Singh, Joginder published an article in 2019, the title of the article was Synthesis of some hippuric acid substrate linked novel pyrazoles as antimicrobial agents.Category: pyrazoles-derivatives And the article contains the following content:

Escalating resistance of microorganisms to the currently accessible antimicrobial drugs has forced to synthesize some novel biol. active compounds as efficient alternates via economical substrates. Hence, hippuric acid was used as one of the starting materials to synthesize pyrazole derivatives All the synthesized compounds were characterized by IR, NMR (1H & 13C) and mass spectral data. The antimicrobial potential of synthesized compounds has been explored against four bacterial and two fungal strains. Among the 12 compounds, 3 compounds 8j, 8k and 8l were found to exhibit prominent antimicrobial potential as compared with the standards ciprofloxacin and amphotericin-B. The experimental process involved the reaction of 3-(Naphthalen-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde(cas: 36640-53-6).Category: pyrazoles-derivatives

The Article related to hippuric acid antimicrobial pyrazoles, Placeholder for records without volume info and other aspects.Category: pyrazoles-derivatives

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics