Category: piperazines

Efficient synthesis of a new class of N-nucleosides of 4H-thiochromeno[2,3-d]pyrimidine-10-sulfone as potential anticancer and antibacterial agents was written by Alshammari, Abdulrahman G.;El-Gazzar, Abdel-Rhman B. A.;Hafez, Hend N.. And the article was included in International Journal of Organic Chemistry in 2013.Product Details of 27913-99-1 This article mentions the following:

A highly practical and efficient preparation of 6-methyl-4H-thiochromene and 7-methyl-thiochromene[2,3-d]pyrimidine derivatives, e.g. I (X = NH, NMe, O), was developed via a multi-component reaction of 3-methyl-thiophenol, aldehydes, and malononitrile. A series of pyrimidine nucleoside, thiochromene[2,3-d]pyrimidine and thiochromene[2,3-d]pyrimidine-10-sulfone was efficiently obtained. These hybrid compounds were evaluated as potential antibacterial and anticancer agents and showed encouraging biol. activities. Some of these derivatives showed broad-spectrum antitumor activity against the nine tumor sub-panels tested, and demonstrated significant activity in the in vitro antitumor screening expressed by MG-MID log₁₀GI₅₀ value of -4.55, -4.67 and -4.73 of compounds I (X = NH, NMe, O), resp. In the experiment, the researchers used many compounds, for example, 4-(4-Methylpiperazin-1-yl)benzaldehyde (cas: 27913-99-1Product Details of 27913-99-1).

4-(4-Methylpiperazin-1-yl)benzaldehyde (cas: 27913-99-1) belongs to piperazine derivatives. Piperazine was first introduced as an anthelmintic in 1953. Piperazine compounds mediate their anthelmintic action by generally paralyzing parasites, allowing the host body to easily remove or expel the invading organism. Piperazine and its salts did not induce point mutations in a bacterial test. A series of mutagenicity studies in cells, both in vitro and in vivo, has been completed and showed no evidence of mutagenic effect.Product Details of 27913-99-1

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

Uncovering molecular bases underlying bone morphogenetic protein receptor inhibitor selectivity was written by Alsamarah, Abdelaziz;LaCuran, Alecander E.;Oelschlaeger, Peter;Hao, Jijun;Luo, Yun. And the article was included in PLoS One in 2015.Computed Properties of C25H22N6 This article mentions the following:

Abnormal alteration of bone morphogenetic protein (BMP) signaling is implicated in many types of diseases including cancer and heterotopic ossifications. Hence, small mols. targeting BMP type I receptors (BMPRI) to interrupt BMP signaling are believed to be an effective approach to treat these diseases. However, lack of understanding of the mol. determinants responsible for the binding selectivity of current BMP inhibitors has been a big hindrance to the development of BMP inhibitors for clin. use. To address this issue, we carried out in silico experiments to test whether computational methods can reproduce and explain the high selectivity of a small mol. BMP inhibitor DMH1 on BMPRI kinase ALK2 vs. the closely related TGF-尾 type I receptor kinase ALK5 and vascular endothelial growth factor receptor type 2 (VEGFR2) tyrosine kinase. We found that, while the rigid docking method used here gave nearly identical binding affinity scores among the three kinases; free energy perturbation coupled with Hamiltonian replica-exchange mol. dynamics (FEP/H-REMD) simulations reproduced the absolute binding free energies in excellent agreement with exptl. data. Furthermore, the binding poses identified by FEP/HREMD led to a quant. anal. of phys./chem. determinants governing DMH1 selectivity. The current work illustrates that small changes in the binding site residue type (e.g. pre-hinge region in ALK2 vs. ALK5) or side chain orientation (e.g. Tyr219 in caALK2 vs. wtALK2), as well as a subtle structural modification on the ligand (e.g. DMH1 vs. LDN193189) will cause distinct binding profiles and selectivity among BMP inhibitors. Therefore, the current computational approach represents a new way of investigating BMP inhibitors. Our results provide critical information for designing exclusively selective BMP inhibitors for the development of effective pharmacotherapy for diseases caused by aberrant BMP signaling. In the experiment, the researchers used many compounds, for example, 4-(6-(4-(Piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline (cas: 1062368-24-4Computed Properties of C25H22N6).

4-(6-(4-(Piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline (cas: 1062368-24-4) belongs to piperazine derivatives. Piperazine is a fairly basic compound and is an amine solvent. Outside the body, piperazine has a remarkable power to dissolve uric acid and producing a soluble urate, but in clinical experience it has not proved equally successful. Computed Properties of C25H22N6

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

Determination of 26 chemical drugs for the treatment of cough and asthma added illegally in herbal tea by high performance liquid chromatography-tandem mass spectrometry was written by Sun, Shuzhou;He, Yanli;Chen, Yong-en;Li, Aodi. And the article was included in Jinri Yaoxue in 2021.HPLC of Formula: 2192-20-3 This article mentions the following:

OBJECTIVE To establish a rapid screening method for determination of 26 chem. drugs for the treatment of cough and asthma added illegally in herbal tea. METHODS This method involved liquid chromatog.-tandem mass spectrometry. The samples were extracted with methanol, filtrated by 0.22 渭m microporous filters and finally separated on a C₁₈ column (2.1 mm脳150 mm, 3.5 渭m) by using acetonitrile and water (containing 5 mmol路L^-1 ammonium formate and 0.1% formic acid) as mobile phase. Qual. and quant. anal. were carried out in multiple reaction monitoring (MRM) model. RESULTS The correlative coefficient of 26 chem. drugs were above 0.995. The average recoveries were 61.2% 鈭?115.6%, the relative standard deviations ranged from 1.0% to 2.0% (n=6). CONCLUSION The method is simple, rapid and sensitive. It is suitable for the determination of 26 chem. drugs for the treatment of cough and asthma added illegally in herbal tea. In the experiment, the researchers used many compounds, for example, 2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethanol dihydrochloride (cas: 2192-20-3HPLC of Formula: 2192-20-3).

2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethanol dihydrochloride (cas: 2192-20-3) belongs to piperazine derivatives. Piperazine causes primary dermal irritation and skin burns at high concentrations. Piperazine also causes eye irritation in humans. Piperazine is formed as a co-product in the ammoniation of 1,2-dichloroethane or ethanolamine. These are the only routes to the chemical used commercially.HPLC of Formula: 2192-20-3

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

Arylation of Amines and Monoarylation of Symmetrical Diamines in the Presence of Brine Solution with Diheteroaryl Halides was written by Verma, Sanjeev K.;Ghorpade, Ramarao;Kaushik, M. P.. And the article was included in Synthetic Communications in 2014.Safety of Piperazine Dihydrochloride This article mentions the following:

A simple, scalable, ligand-free, and metal-free protocol for arylation of amines and monoarylation of sym. diamines with diheteroaryl halides in the presence of brine solution has been developed. The protocol has broad structural applicability for chemoselective monoarylation of a wide variety of sym., cyclic, and acyclic aliphatic diamines. The protocol is also applicable for selective arylation of aliphatic amine in the presence of aromatic amine. In the experiment, the researchers used many compounds, for example, Piperazine Dihydrochloride (cas: 142-64-3Safety of Piperazine Dihydrochloride).

Piperazine Dihydrochloride (cas: 142-64-3) belongs to piperazine derivatives. Simple N-substituted piperazines have been found in many drug molecules. Although many piperazine derivatives occur naturally, piperazine itself can be synthesized by reacting alcoholic ammonia with 1,2-dichloroethane, by the action of sodium and ethylene glycol on ethylene diamine hydrochloride, or by reduction of pyrazine with sodium in ethanol.Safety of Piperazine Dihydrochloride

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

A novel series of 2-carboxytetrahydroquinolines provides new insights into the eastern region of glycine site NMDA antagonists was written by Dannhardt, Gerd;v. Gruchalla, Markus;Kohl, Beate K.;Parsons, C. G.. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2000.Computed Properties of C16H25N3O2 This article mentions the following:

A series of potent 4-substituted tetrahydroquinolines has been synthesized and biol. tested in order to refine the eastern region of the pharmacophore model for glycine site NMDA antagonists concerning the assessment of lipophilicity, flexibility, and hydrogen bonding. Displacement studies on rat cortical membranes using [³H]-5,7-dichlorokynurenic acid as a radioligand indicated that binding affinities are markedly enhanced when addnl. hydrogen-accepting groups are introduced into the eastern region of the 2-carboxytetrahydroquinolines. Among the most potent ligands were some urea, sulfonylurea, and crown ether compounds as interesting leads for new diagnostics, especially for the evaluation of PET tracers, which allow biodistribution studies and NMDA receptor studies in the living organism. In the experiment, the researchers used many compounds, for example, tert-Butyl 4-(4-aminobenzyl)piperazine-1-carboxylate (cas: 304897-49-2Computed Properties of C16H25N3O2).

tert-Butyl 4-(4-aminobenzyl)piperazine-1-carboxylate (cas: 304897-49-2) belongs to piperazine derivatives. Piperazine was first introduced as an anthelmintic in 1953. Piperazine compounds mediate their anthelmintic action by generally paralyzing parasites, allowing the host body to easily remove or expel the invading organism. Piperazines are very broad chemical group, covering a wide range of drugs from antidepressants to antihistamines. The connecting property of all these chemicals is the presence of a piperazine functional group.Computed Properties of C16H25N3O2

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

Discovery and optimization of novel pyrazole-benzimidazole CPL304110 as a potent and selective inhibitor of fibroblast growth factor receptors FGFR (1-3) was written by Yamani, Abdellah;Zdzalik-Bielecka, Daria;Lipner, Joanna;Stanczak, Aleksandra;Piorkowska, Natalia;Stanczak, Paulina Seweryna;Olejkowska, Patrycja;Hucz-Kalitowska, Joanna;Magdycz, Marta;Dzwonek, Karolina;Dubiel, Krzysztof;Lamparska-Przybysz, Monika;Popiel, Delfina;Pieczykolan, Jerzy;Wieczorek, Maciej. And the article was included in European Journal of Medicinal Chemistry in 2021.Synthetic Route of C26H33N5O3 This article mentions the following:

The scaffolds hybridization approach, scaffold-hopping concept, has been employed to synthesize a series of novel pyrazole-benzimidazoles I [R¹ = H, Cl; R² = morpholin-4-yl, 4-methylpiperazin-1-ylcarbonyl, tetrahydropyran-4-ylcarbamoyl, etc.; R³ = H, F]. Compound I [R¹ = R³ = H; R² = 4-methylpiperazin-1-yl] (CPL304110) was identified as a selective and potent pan-FGFR inhibitor for FGFR1, FGFR2, FGFR3 with IC₅₀ of 0.75 nM, 0.50 nM, 3.05 nM resp., and IC₅₀ of 87.90 nM for FGFR4. Due to its favorable pharmacokinetic profile, low toxicity and potent anti-tumor activity in-vivo, this compound I is currently under evaluation in phase I clin. trial for the treatment of bladder, gastric and squamous cell lung cancers (01FGFR2018; NCT04149691). In the experiment, the researchers used many compounds, for example, rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide (cas: 1035270-39-3Synthetic Route of C26H33N5O3).

rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide (cas: 1035270-39-3) belongs to piperazine derivatives. Piperazine belongs to the family of medicines called anthelmintics. Piperazine is an anthelminthic especially useful in the treatment of partial intestinal obstruction caused by Ascaris worms, which is a condition primarily seen in children. Piperazine hydrate and piperazine citrate are the main anthelminthic piperazines.Synthetic Route of C26H33N5O3

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

Conformational analysis of an anxiolytic agent: tandospirone in aqueous solution was written by Igarashi, Jun-Etsu;Nishimura, Tamiki;Sunagawa, Makoto. And the article was included in Bioorganic & Medicinal Chemistry Letters in 1997.Application In Synthesis of rel-(3aR,4S,7R,7aS)-2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 2-hydroxypropane-1,2,3-tricarboxylate This article mentions the following:

The conformations of tandospirone citrate (I) and related compounds in aqueous solution have been studied by ¹H NMR, IR experiments and MM calculations The significant contribution to the folded conformer of tandospirone was found in aqueous solution In the experiment, the researchers used many compounds, for example, rel-(3aR,4S,7R,7aS)-2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 2-hydroxypropane-1,2,3-tricarboxylate (cas: 112457-95-1Application In Synthesis of rel-(3aR,4S,7R,7aS)-2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 2-hydroxypropane-1,2,3-tricarboxylate).

rel-(3aR,4S,7R,7aS)-2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 2-hydroxypropane-1,2,3-tricarboxylate (cas: 112457-95-1) belongs to piperazine derivatives. A form in which piperazine is commonly available industrially is as the hexahydrate, C4H10N2. 6H2O, which melts at 44 掳C and boils at 125鈥?30 掳C. Piperazine and its salts did not induce point mutations in a bacterial test. A series of mutagenicity studies in cells, both in vitro and in vivo, has been completed and showed no evidence of mutagenic effect.Application In Synthesis of rel-(3aR,4S,7R,7aS)-2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 2-hydroxypropane-1,2,3-tricarboxylate

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

Systematic profiling of staralog response to acquired drug resistant kinase gatekeeper mutations in targeted cancer therapy was written by Yang, Yuping;Qiu, Yue;Liu, Xu;Liu, Yanhua;Yin, Yaling;Li, Peng. And the article was included in Amino Acids in 2020.Safety of rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide This article mentions the following:

Here, we describe an integrative approach to systematically profile the mol. response of 15 representative Staralogs to 17 kinase gatekeeper mutations in targeted cancer therapy. With the profile we are able to divide gatekeeper mutations into three classes (i.e. classes I, II and III) and to divide Staralogs into two groups (i.e. groups 1 and 2) using heuristic clustering. The class I and II mutations confer consistent sensitivity and resistance for all Staralogs, resp., while the class III mutations address divergent effects on different Staralogs. The mutations to Ile residue can generally reduce Staralog affinity by inducing unfavorable steric hindrance, whereas the mutations to Met and Leu residues would improve Staralog affinity by establishing favorable S路路路p interaction, van der Waals packing and/or hydrophobic contact. The group 1 and 2 Staralogs are primarily determined by carbonyl or hydroxyl substitution state at the position 7 of Staralog core, where points to kinase gatekeeper residue and can thus be directly influenced by gatekeeper mutation. In the experiment, the researchers used many compounds, for example, rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide (cas: 1035270-39-3Safety of rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide).

rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide (cas: 1035270-39-3) belongs to piperazine derivatives. Piperazine causes primary dermal irritation and skin burns at high concentrations. Piperazine also causes eye irritation in humans. Intermediate for a wide range of pharmaceuticals, polymers, dyes, corrosion inhibitors, rubber accelerators and surfactants.Safety of rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide

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

Integrated Platform for Expedited Synthesis-Purification-Testing of Small Molecule Libraries was written by Baranczak, Aleksandra;Tu, Noah P.;Marjanovic, Jasmina;Searle, Philip A.;Vasudevan, Anil;Djuric, Stevan W.. And the article was included in ACS Medicinal Chemistry Letters in 2017.Recommanded Product: 1-(1,4-Diazepan-1-yl)ethanone This article mentions the following:

The productivity of medicinal chem. programs can be significantly increased through the introduction of automation, leading to shortened discovery cycle times. Herein, the authors describe a platform that consolidates synthesis, purification, quantitation, dissolution, and testing of small mol. libraries. The system was validated through the synthesis and testing of two libraries of binders of polycomb protein EED, and excellent correlation of obtained data with results generated through conventional approaches was observed The fully automated and integrated platform enables batch-supported compound synthesis based on a broad array of chem. transformations with testing in a variety of biochem. assay formats. A library turnaround time of between 24 and 36 h was achieved, and notably, each library synthesis produces sufficient amounts of compounds for further evaluation in secondary assays thereby contributing significantly to the shortening of medicinal chem. discovery cycles. In the experiment, the researchers used many compounds, for example, 1-(1,4-Diazepan-1-yl)ethanone (cas: 61903-11-5Recommanded Product: 1-(1,4-Diazepan-1-yl)ethanone).

1-(1,4-Diazepan-1-yl)ethanone (cas: 61903-11-5) belongs to piperazine derivatives. A form in which piperazine is commonly available industrially is as the hexahydrate, C4H10N2. 6H2O, which melts at 44 掳C and boils at 125鈥?30 掳C. Piperazine and its salts did not induce point mutations in a bacterial test. A series of mutagenicity studies in cells, both in vitro and in vivo, has been completed and showed no evidence of mutagenic effect.Recommanded Product: 1-(1,4-Diazepan-1-yl)ethanone

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

Optimization of quantitative analysis of buclizine hydrochloride using UV spectrophotometry in bulk drug and dosage formulations was written by Siddiqui, Farhan Ahmed;Mirza, Agha Zeeshan;Zuberi, M. Hashim;Qureshi, Faiza. And the article was included in Medicinal Chemistry Research in 2011.Name: 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride This article mentions the following:

Development and validation of an anal. spectral calibration method to quantify buclizine hydrochloride, which is a piperazine derivative and used as a single active principle in pharmaceutical forms were done. The quantification of buclizine hydrochloride was performed in the wavelength range of 218-226 nm at N = 6. The linear regression equation was constructed using relationship between concentration and absorbance at 218, 220, 222, 224, and 226 nm. The developed method was applied directly and easily to the anal. of the pharmaceutical tablet preparations Mean %RSD was found to be 0.6231% (Longifene tablet 25 mg). The method was completely validated and proven to be rugged. This validated UV spectrophotometric method is potentially useful for a routine laboratory anal. because of its simplicity, rapidity, sensitivity, precision, and accuracy. In the experiment, the researchers used many compounds, for example, 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride (cas: 129-74-8Name: 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride).

1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride (cas: 129-74-8) belongs to piperazine derivatives. Piperazine causes primary dermal irritation and skin burns at high concentrations. Piperazine also causes eye irritation in humans. Piperazine is an anthelminthic especially useful in the treatment of partial intestinal obstruction caused by Ascaris worms, which is a condition primarily seen in children. Piperazine hydrate and piperazine citrate are the main anthelminthic piperazines.Name: 1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride

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