Month: October 2022

Synthetic Route of C8H20Cl2N2O2SOn November 18, 2011 ,《Application of PAT tools for the safe and reliable production of a dihydro-1H-imidazole》 appeared in Organic Process Research & Development. The author of the article were Barrios Sosa, Ana C.; Conway, Ryan; Williamson, R. Thomas; Suchy, James P.; Edwards, William; Cleary, Thomas. The article conveys some information:

The application of two Process Anal. Technol. (PAT) tools was studied and implemented for the safe and reliable synthesis of an advanced intermediate (4S,5R-7) (I) of a member of the dihydro-1H-imidazole class of compounds Real time data were generated using ReactIR to track the complete breakdown of phosgene precursors to phosgene and confirm the absence of these hazardous materials prior to batch transfer operations. In addition, the chiral resolution by crystallization of rac7 was monitored by a Lasentec FBRM probe-based system. Implementation of the latter helped to track the crystallization process to minimize the risk of cocrystn. of undesired isomer 4R,5S-7. In addition to this study using 1-(3-(Methylsulfonyl)propyl)piperazine dihydrochloride, there are many other studies that have used 1-(3-(Methylsulfonyl)propyl)piperazine dihydrochloride(cas: 939983-66-1Synthetic Route of C8H20Cl2N2O2S) was used in this study.

1-(3-(Methylsulfonyl)propyl)piperazine dihydrochloride(cas: 939983-66-1) is a member of sulfones.The sulfones, like the sulfonamides, are structural analogs of para-aminobenzoic acid that interfere with folic acid metabolism by acting as competitive inhibitors of dihydropteroate synthetase. All sulfones of clinical value are derivatives of dapsone, the most widely used member of this class.Synthetic Route of C8H20Cl2N2O2S

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Computed Properties of C17H19N5On September 23, 2013 ,《Computational Profiling of Bioactive Compounds Using a Target-Dependent Composite Workflow》 was published in Journal of Chemical Information and Modeling. The article was written by Meslamani, Jamel; Bhajun, Ricky; Martz, Francois; Rognan, Didier. The article contains the following contents:

Computational target fishing is a chemoinformatic method aimed at determining main and secondary targets of bioactive compounds in order to explain their mechanism of action, anticipate potential side effects, or repurpose existing drugs for novel therapeutic indications. Many existing successes in this area have been based on a use of a single computational method to estimate potentially new target-ligand associations We herewith present an automated workflow using several methods to optimally browse target-ligand space according to existing knowledge on either ligand and target space under investigation. The protocol uses four ligand-based (SVM classification, SVR affinity prediction, nearest neighbors interpolation, shape similarity) and two structure-based approaches (docking, protein-ligand pharmacophore match) in series, according to well-defined ligand and target property checks. The workflow was remarkably accurate (72%) in identifying the main target of 189 clin. candidates and proposed two novel off-targets which could be exptl. validated. Rolofylline, an adenosine A1 receptor antagonist, was confirmed to inhibit phosphodiesterase 5 with a moderate affinity (IC50 = 13.8 μM). More interestingly, we describe a strong binding (IC50 = 142 nM) of a claimed selective phosphodiesterase 10 A inhibitor (PF-2545920) with the cysteinyl leukotriene type 1 G protein-coupled receptor. The results came from multiple reactions, including the reaction of Abt-724(cas: 70006-24-5Computed Properties of C17H19N5)

Abt-724(cas: 70006-24-5) belongs to piperazines. Two common salts in the form of which piperazine is usually prepared for pharmaceutical or veterinary purposes are the citrate, 3C4H10N2.2C6H8O7 (i.e. containing 3 molecules of piperazine to 2 molecules of citric acid), and the adipate, C4H10N2.C6H10O4 (containing 1 molecule each of piperazine and adipic acid).Computed Properties of C17H19N5

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Category: piperazinesOn May 1, 2010 ,《Discovery of novel leukotriene A4 hydrolase inhibitors based on piperidine and piperazine scaffolds》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Sandanayaka, Vincent; Mamat, Bjorn; Bhagat, Nikhil; Bedell, Louis; Halldorsdottir, Gudrun; Sigthorsdottir, Heida; Andresson, Torkell; Kiselyov, Alex; Gurney, Mark; Singh, Jasbir. The article conveys some information:

Novel piperidine and piperazine derivatives have been designed and tested as inhibitors of LTA4 hydrolase (LTA4H). Most potent compounds showed good potency in both enzymic and functional human whole blood assay. Crystallog. studies further confirmed observed structure-activity relationship and LTA4H binding mode for analogs from the piperidine series. In addition to this study using (4-Benzylpiperazin-2-yl)methanol, there are many other studies that have used (4-Benzylpiperazin-2-yl)methanol(cas: 85817-34-1Category: piperazines) was used in this study.

(4-Benzylpiperazin-2-yl)methanol(cas: 85817-34-1) belongs to piperazines. Two common salts in the form of which piperazine is usually prepared for pharmaceutical or veterinary purposes are the citrate, 3C4H10N2.2C6H8O7 (i.e. containing 3 molecules of piperazine to 2 molecules of citric acid), and the adipate, C4H10N2.C6H10O4 (containing 1 molecule each of piperazine and adipic acid).Category: piperazines

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Heusler, Peter; Bruins Slot, Liesbeth; Rauly-Lestienne, Isabelle; Palmier, Christiane; Tardif, Stephanie; Tourette, Amelie; Ailhaud, Marie-Christine; Cussac, Didier published an article on January 31 ,2009. The article was titled 《Activation of G proteins and extracellular signal-regulated kinase 1/2 phosphorylation via human dopamine D4.4 receptors: differential pathway-dependent potencies of receptor agonists》, and you may find the article in Naunyn-Schmiedeberg’s Archives of Pharmacology.Computed Properties of C17H19N5 The information in the text is summarized as follows:

Agonist activity at recombinant human dopamine D4.4 receptors was compared in stably transfected CHO cells using two functional readouts: G protein activation by [35S]GTPγS binding and phosphorylation of extracellular signal-regulated kinase 1/2 (pERK1/2). Results with a large series of agonists reveal markedly higher relative agonist efficacy in the pERK1/2 assay compared with [35S]GTPγS binding, while potencies were generally higher in the latter readout. Whereas efficacies were highly correlated when comparing both tests, potencies determined using the pERK1/2 assay were neither correlated with those for G protein activation nor with binding affinities. To examine if these differences may be attributable to distinct assay conditions (5 min incubation for pERK1/2 compared with binding equilibrium conditions for [35S]GTPγS), selected compounds were tested in a modified short-duration [35S]GTPγS binding assay. In these experiments, potencies were generally reduced; however, compounds exhibiting comparably high potency in the pERK1/2 assay were not affected by this duration-dependent potency shift. The authors conclude that assay parameters such as signal amplification and incubation time have to be considered with respect to the appropriate choice of exptl. approaches that best reflect agonist activity at dopamine D4 receptors in vivo. In the experiment, the researchers used Abt-724(cas: 70006-24-5Computed Properties of C17H19N5)

Abt-724(cas: 70006-24-5) belongs to piperazines. Two common salts in the form of which piperazine is usually prepared for pharmaceutical or veterinary purposes are the citrate, 3C4H10N2.2C6H8O7 (i.e. containing 3 molecules of piperazine to 2 molecules of citric acid), and the adipate, C4H10N2.C6H10O4 (containing 1 molecule each of piperazine and adipic acid).Computed Properties of C17H19N5

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Prasad, J. V. N. Vara; Markoski, Larry J.; Boyer, Fred E.; Domagala, John M.; Ellsworth, Edmund L.; Gajda, Christopher; Hagen, Susan E.; Tait, Bradley D.; Lunney, Elizabeth A.; Tummino, Peter J.; Ferguson, Donna; Holler, Tod; Hupe, Donald; Nouhan, Carolyn; Gracheck, Stephen J.; VanderRoest, Steven; Saunders, James; Iyer, K.; Sinz, M. published their research in Bioorganic & Medicinal Chemistry Letters on August 2 ,1999. The article was titled 《Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydro-2-pyranones possessing a novel and achiral 3-(2-t-butyl-5-methyl-4-sulfamate)phenylthio moiety》.Safety of 4-Methyl-1-piperazinesulfonyl Chloride The article contains the following contents:

Dihydropyran-2-ones possessing a sulfamate moiety at the 4-position of a phenylthio ring were designed to reach S3′ pocket of the HIV protease. Synthetic routes for the preparation of thiotosylates possessing 3-(2-tert-butyl-5-methyl-4-sulfamate) phenylthio moiety were established. SAR of various sulfamate analogs including HIV protease binding affinities, antiviral activities and therapeutic indexes will be described. An example compound thus prepared and tested was sulfamic acid 4-[[5,6-dihydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-methyl-2-oxo-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl ester. The experimental part of the paper was very detailed, including the reaction process of 4-Methyl-1-piperazinesulfonyl Chloride(cas: 1688-95-5Safety of 4-Methyl-1-piperazinesulfonyl Chloride)

4-Methyl-1-piperazinesulfonyl Chloride(cas: 1688-95-5) is a member of sulfamide. Sulfamide was used in the synthesis of: Schiff bases of the type ArCH=NSO2NH2; 1H,3H-2,1,3-benzothiadiazin-4-one-2,2-dioxide (BTDD); sulfamide analogs of oleoylethanolamide analogs in a study of PPARα activation.Safety of 4-Methyl-1-piperazinesulfonyl Chloride

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

The author of 《Synthesis and preliminary pharmacological assessment of novel 9-substituted pyrimidino[2,1-f]purines》 were Pawlowski, Maciej; Drabczynska, Anna; Gorczyca, Maria; Malec, Danuta; Modzelewski, Jerzy. And the article was published in Polish Journal of Pharmacology and Pharmacy in 1991. Recommanded Product: 1-Methylpiperazine dihydrochloride The author mentioned the following in the article:

Synthesis, chem. properties and results of preliminary pharmacol. evaluation of several new 9-substituted pyrimidino[2,1-f]purines (I, R1 = R2 = Me; NR1R2 = heterocyclo; n = 2-3) are described. The most interesting was I (NR1R2 = phenylpiperazino; n = 3) which exerted strong sedative, hypothermizing and cataleptogenic action and possessed some antiamphetamine and antiapomorphine (neuroleptic-like) properties. In addition to this study using 1-Methylpiperazine dihydrochloride, there are many other studies that have used 1-Methylpiperazine dihydrochloride(cas: 34352-59-5Recommanded Product: 1-Methylpiperazine dihydrochloride) was used in this study.

1-Methylpiperazine dihydrochloride(cas: 34352-59-5) is used in the preparation of 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP), 1-methylpiperazine-1,4-diium tetrachloridozincate hemihydrate, 2-(4-Methyl-1-piperazinylmethyl)acrylophenone(MPMAP), an antimicrotubular drug..Recommanded Product: 1-Methylpiperazine dihydrochloride

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

《Design, Synthesis, and Molecular Modeling Studies of Novel Coumarin Carboxamide Derivatives as eEF-2K Inhibitors》 was published in Journal of Chemical Information and Modeling in 2020. These research results belong to Comert Onder, Ferah; Durdagi, Serdar; Sahin, Kader; Ozpolat, Bulent; Ay, Mehmet. HPLC of Formula: 109-01-3 The article mentions the following:

Eukaryotic elongation factor-2 kinase (eEF-2K) is an unusual alpha kinase commonly upregulated in various human cancers, including breast, pancreatic, lung, and brain tumors. We have demonstrated that eEF-2K is relevant to poor prognosis and shorter patient survival in breast and lung cancers and validated it as a mol. target using genetic methods in related in vivo tumor models. Although several eEF-2K inhibitors have been published, none of them have shown to be potent and specific enough for translation into clin. trials. Therefore, development of highly effective novel inhibitors targeting eEF-2K is needed for clin. applications. However, currently, the crystal structure of eEF-2K is not known, limiting the efforts for designing novel inhibitor compounds Therefore, using homol. modeling of eEF-2K, we designed and synthesized novel coumarin-3-carboxamides including compounds (I) and (II) and evaluated their activity by performing in silico anal. and in vitro biol. assays in breast cancer cells (structures contained within. The Mol. Mechanics/Generalized Born Surface Area (MM/GBSA) area results showed that I have interaction energies with eEF-2K better than those of II compounds Our in vitro results indicated that compounds I were highly effective in inhibiting eEF-2K at 1.0 and 2.5μM concentrations compared to compounds II, supporting the in silico findings. In conclusion, the results of this study suggest that our homol. modeling along with in silico anal. may be effectively used to design inhibitors for eEF-2K. Our newly synthesized compounds I may be used as novel eEF-2K inhibitors with potential therapeutic applications.1-Methylpiperazine(cas: 109-01-3HPLC of Formula: 109-01-3) was used in this study.

1-Methylpiperazine(cas: 109-01-3) can be used as mimic template in the preparation of molecularly imprinted microspheres (MIMs). It was also used to prepare the difunctional strong anion-exchange stationary phase from a 1,4-diazacyclohexane derivative..HPLC of Formula: 109-01-3

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Reference of 1-MethylpiperazineIn 2020 ,《The effect of novel 7-methyl-5-phenyl-pyrazolo[4,3-e]tetrazolo[4,5-b] [1,2,4]triazine sulfonamide derivatives on apoptosis and autophagy in DLD-1 and HT-29 colon cancer cells》 appeared in International Journal of Molecular Sciences. The author of the article were Gornowicz, Agnieszka; Szymanowska, Anna; Mojzych, Mariusz; Bielawski, Krzysztof; Bielawska, Anna. The article conveys some information:

The objective of this study was to synthesize title compounds I (R = [(2S)-1-hydroxy-4-methylpentan-2-yl]aminyl, 4-methylpiperazin-1-yl) by utilizing nucleophilic substitution reaction at the position N1. The biol. activity of tested compounds was assessed in DLD-1 and HT-29 cell lines. The induction of apoptosis was confirmed by Annexin V binding assay and acridine orange/ethidium bromide staining. The loss of mitochondrial membrane potential and caspase-8 activity was estimated using cytometer flow anal. The concentration of p53, LC3A, LC3B and beclin-1 was measured using the ELISA technique. The study revealed that anticancer activity of title compounds I is related with initiation of apoptosis occurred on the intrinsic pathway with mitochondrial membrane decrease and extrinsic with increase of activity of caspase-8. Moreover, a decrease in beclin-1, LC3A, and LC3B was observed in two cell lines after treatment with novel compounds This study showed that novel title compounds I might be a potential strategy in colon cancer treatment. The experimental process involved the reaction of 1-Methylpiperazine(cas: 109-01-3Reference of 1-Methylpiperazine)

1-Methylpiperazine(cas: 109-01-3) can be used as mimic template in the preparation of molecularly imprinted microspheres (MIMs). It was also used to prepare the difunctional strong anion-exchange stationary phase from a 1,4-diazacyclohexane derivative..Reference of 1-Methylpiperazine

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Synthetic Route of C12H15N3On May 31, 2020, Zhu, Chenghao; Sawrey-Kubicek, Lisa; Beals, Elizabeth; Rhodes, Chris H.; Houts, Hannah Eve; Sacchi, Romina; Zivkovic, Angela M. published an article in Nutrition Research (New York, NY, United States). The article was 《Human gut microbiome composition and tryptophan metabolites were changed differently by fast food and Mediterranean diet in 4 days: a pilot study》. The article mentions the following:

Diets rich in animal source foods vs plant-based diets have different macronutrient composition, and they have been shown to have differential effects on the gut microbiome. In this study, we hypothesized that diets with very different nutrient composition are able to change gut microbiome composition and metabolites in a very short period. We compared a fast food (FF) diet (ie, burgers and fries) with a Mediterranean (Med) diet, which is rich in vegetables, whole grains, olive oil, nuts, and fish. Plasma metabolites and bile acids were analyzed using liquid chromatog.-mass spectrometry. Certain bile-tolerant microbial genera and species including Collinsella, Parabacteroides, and Bilophila wadsworthia significantly increased after the FF diet. Some fiber-fermenting bacteria, including Lachnospiraceae and Butyricicoccus, increased significantly after the Med diet and decreased after the FF diet. Bacterially produced metabolites indole-3-lactic acid and indole-3-propionic acid, which have been shown to confer beneficial effects on neuronal cells, increased after the Med diet and decreased after the FF diet. Interindividual variability in response to the treatments may be related to differences in background diet, for example as shown by differences in Bilophila response in relationship to the saturated fat content of the baseline diet. In conclusion, an animal fat-rich, low-fiber FF diet v. a high-fiber Med diet altered human gut microbiome composition and its metabolites after just 4 days. The results came from multiple reactions, including the reaction of 4-(Piperazin-1-yl)-1H-indole(cas: 84807-09-0Synthetic Route of C12H15N3)

4-(Piperazin-1-yl)-1H-indole(cas: 84807-09-0) belongs to piperazines. Two common salts in the form of which piperazine is usually prepared for pharmaceutical or veterinary purposes are the citrate, 3C4H10N2.2C6H8O7 (i.e. containing 3 molecules of piperazine to 2 molecules of citric acid), and the adipate, C4H10N2.C6H10O4 (containing 1 molecule each of piperazine and adipic acid).Synthetic Route of C12H15N3

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Zhang, Dou-Sheng; Liu, Wen; Li, Ya-Ping; Hu, Chang-Qin published an article in Journal of Planar Chromatography–Modern TLC. The title of the article was 《Establishment and optimization of an HPTLC method for the analysis of gatifloxacin and related substances by design of experiment》.SDS of cas: 182868-72-0 The author mentioned the following in the article:

The objective of this study was to establish and optimize high-performance thin-layer chromatog. (HPTLC) anal. of gatifloxacin and related substances by the method of design of experiment (DOE). First, preliminary screening of 22 solvents was performed using uniform design (UD) to establish the developing solvent proposed to be optimized. The optimal proportions of components in the developing solvent were established by central composite design (CCD) to establish and validate HPTLC anal. of gatifloxacin and related substances. Using DOE, it was found that the optimal proportions (by volume) of components in the developing solvent in the HPTLC anal. method were methanol-1,2-dichloroethane-concentrated ammonia solution-acetonitrile (2.8:7.2:0.5:0.5, ν/ν). Methodol. validation showed that the established HPTLC method could sep. gatifloxacin and 8 related substances with similar structures effectively. In particular, impurity pairs with the greatest separation difficulty (due to their similar polarities and dipole moments), e.g., impurity #3 (8-fluorogatifloxacin) and impurity #8 (gatifloxacin 2-methylpiperazine), impurity #3, and substance #9 (gatifloxacin), could also be separated effectively. The HPTLC method was simple, accurate, reliable, and suitable for rapid qual. anal. of gatifloxacin and related substances in routine tests. Addnl., the anal. results presented here may provide useful supplemental information on the current reversed phase high-performance liquid chromatog. (RP-HPLC) method, especially in terms of the mechanism of normal-phase separation In the experiment, the researchers used many compounds, for example, 1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid(cas: 182868-72-0SDS of cas: 182868-72-0)

1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid(cas: 182868-72-0) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).SDS of cas: 182868-72-0

Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics