Month: October 2022

Faigle, Johann W.; Blattner, Hans; Glatt, Hansruedi; Kriemler, Hans Peter; Mory, Hans; Storni, Angelo; Winkler, Tammo; Oesch, Franz published their research in Helvetica Chimica Acta on August 12 ,1987. The article was titled 《Structures and mutagenic properties of products obtained by C-nitrosation of opipramol》.Application of 3445-00-9 The article contains the following contents:

Reaction of the tricyclic psychotropic drug opipramol (I) with an excess of HNO2 gave a product mixture mutagenic to Salmonella typhimurium. The main product is a tetracyclic furoxan II (yield ca. 80%), resulting from nitrosation at C(10) and C(11) of I. II is not mutagenic. The essential mutagen is a nitroarene III, formed by contraction of the central ring of I and nitrosation at C(2). The yield of III is extremely low (<0.1%). Mutagenic nitroarenes have previously not been encountered as products from the interaction of drugs with nitrite. The results came from multiple reactions, including the reaction of 2-(4-(3-Chloropropyl)piperazin-1-yl)ethanol dihydrochloride(cas: 3445-00-9Application of 3445-00-9)

2-(4-(3-Chloropropyl)piperazin-1-yl)ethanol dihydrochloride(cas: 3445-00-9) belongs to piperazines. Piperazines are very broad chemical group, covering a wide range of drugs from antidepressants to antihistamines.Application of 3445-00-9

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

《One-pot multicomponent synthesis of novel 3, 4-dihydro-3-methyl-2(1H)-quinazolinone derivatives and their biological evaluation as potential antioxidants, enzyme inhibitors, antimicrobials, cytotoxic and anti-inflammatory agents》 was written by Farooq, Samra; Mazhar, Aqsa; Ihsan-Ul-Haq; Ullah, Naseem. Electric Literature of C5H12N2 And the article was included in Arabian Journal of Chemistry in 2020. The article conveys some information:

A series of 3,4-dihydro-3-methyl-2(1H)-quinazolinones I [R = pyrrolidin-1-yl, 1-piperidyl, morpholino, etc.] with amines and formaldehyde were designed and synthesized by a reflux condensation reaction in the presence of an acid catalyst resulted in N-Mannich bases. Mannich bases I were evaluated pharmacol. for their antioxidant, α-amylase enzyme inhibition, antimicrobial, cell cytotoxicity and anti-inflammatory activities. Most of the compounds I exhibited potent activities against these bioassays. Among them, compounds I [R = 1-piperidyl, N-acetyl-4-hydroxyanilino] showed potent antioxidant activity against DPPH free radical at IC50 of 9.94 ± 0.16μg/mL and 11.68 ± 0.32μg/mL, resp. Compounds I [R = N-phenylanilino, N-acetylanilino, N-acetyl-4-hydroxyanilino] showed significant resulted in TAC and TRP antioxidant assays, comparable to that of ascorbic acid. Compounds I [R = morpholino, pyrrolidin-1-yl] showed potent activity in inhibiting α-amylase enzyme at IC50 of 10.17 ± 0.23μg/mL and 9.48 ± 0.17μg/mL, resp., when compared with acarbose (13.52 ± 0.19μg/mL). Compound I [R = N-phenylanilino] was the most active against Gram-pos. and Gram-neg. bacterial strains, compound I [R = N-acetyl-4-hydroxyanilino] was the most potent against P. aeruginosa inhibited its growth up to 80% (MIC = 11.11μg/mL). Compounds I [R = dipropylamino, 4-methylpiperazin-1-yl, piperazin-1-yl] exhibited significant activity against some fungal strains. Among the thirteen N-Mannich bases I, four were screened out based on the results of brine shrimp lethality assay (LD50) and cell cytotoxicity assay (IC50),determine their anti-cancer potential against Hep-G2 cells. The study was conducted for 24, 48, and 72 h. Compound I [R = diethylamino] showed potent results at IC50 of 6.48μM at 72 h when compared with cisplatin (2.56μM). An in-vitro nitric oxide (NO) assay was performed to shortlist compounds for in-vivo anti-inflammatory assay. Among shortlisted compounds, I [R = N-acetyl-4-hydroxyanilino] exhibited potent anti-inflammatory activity by decreasing the paw thickness to the maximum compared to the standard, acetylsalicylic acid (ASA). The experimental process involved the reaction of 1-Methylpiperazine(cas: 109-01-3Electric Literature of C5H12N2)

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..Electric Literature of C5H12N2

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

The author of 《Volume changes in the proton ionization of amines in water. 1. Morpholines and piperazines》 were Cabani, S.; Mollica, V.; Lepori, L.; Lobo, S. T.. And the article was published in Journal of Physical Chemistry in 1977. Electric Literature of C5H14Cl2N2 The author mentioned the following in the article:

Apparent molar volumes, Φv, at various concentrations in water at 25° of some cyclic bifunctional amines [morpholine, 4-methylmorpholine, piperazine, 1-methyl- and 1,4-dimethylpiperazine, 1,4-diazabicyclo[2.2.2]octane (triethylenediamine)] and their mono- and dihydrochlorides were determined The volume changes ΔV1° and ΔV2°, involved in the 1st and 2nd proton ionizations from the protonated amines, were calculated from the limiting partial molar volumes V̅2°. The volumes of ionization for the bifunctional cyclic amines were compared with those for the monofunctional amines ad the relationship between entropies and volumes of ionization was examined In the experiment, the researchers used 1-Methylpiperazine dihydrochloride(cas: 34352-59-5Electric Literature of C5H14Cl2N2)

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..Electric Literature of C5H14Cl2N2

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

《A Cu (I) catalyzed large scale synthesis of an antipsychotic drug substance Clozapine with new precursor 2-chloro benzoic acid》 was published in Arabian Journal of Chemistry in 2020. These research results belong to Venkat Rao, S.. Category: piperazines The article mentions the following:

Development of an economic and com. manufacturing process for an anti-psychotic drug substance clozapine I with an alternative key starting material (2-chloro benzoic acid) in the place of literature reported key starting material Anthranilic acid. To avoid narcotic key starting materials usage in drug substances the author invented a com. available raw material 2-chlorobenzoic acid, which reacts with another key starting material 4-chloro-1,2-diamino benzene. This reaction proceeded through Ullman reaction to produce multi scale level Clozapine which quality meets the ICH requirements.1-Methylpiperazine(cas: 109-01-3Category: piperazines) 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..Category: piperazines

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

《Discovery of Novel Indole-Based Allosteric Highly Potent ATX Inhibitors with Great In Vivo Efficacy in a Mouse Lung Fibrosis Model》 was written by Lei, Hongrui; Guo, Ming; Li, Xiaopeng; Jia, Fang; Li, Changtao; Yang, Yu; Cao, Meng; Jiang, Nan; Ma, Enlong; Zhai, Xin. SDS of cas: 109-01-3 And the article was included in Journal of Medicinal Chemistry in 2020. The article conveys some information:

Autotaxin (ATX) is the dominant catalytic enzyme accounting for the lipid mediator lysophosphatidic acid (LPA) through hydrolysis of lysophosphatidylcholine (LPC). There is great interest in developing nonacidic ATX inhibitors with a specific binding mode to serve as potential in vivo effective therapeutic tools. Herein, dating from a high-throughput screening (HTS) product Indole-1 (740 nM), a dedicated optimization campaign was implemented through derivatizing the -COOH group to versatile linkers that well-bridged the indole skeleton and the hydrophobic pocket binding groups. Ultimately, it was established that the coexistence of a carbamate linker and -OH-group-containing amines could generally furnish excellent indole-based ATX inhibitors with even below 1 nM in vitro activities. Two optimal entities were advanced to a bleomycin-induced mice pulmonary fibrosis model, which exerted promising efficacy in alleviating the damaged lung texture caused by bleomycin exposure. The novel carbamate-containing indole-based ATX inhibitors with a concrete binding mode may contribute to the identification of potential therapeutic agents to intervene in fibrotic diseases. In the part of experimental materials, we found many familiar compounds, such as 1-Methylpiperazine(cas: 109-01-3SDS of cas: 109-01-3)

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..SDS of cas: 109-01-3

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

Cao, Yue; Zhou, Xiaoying; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien published an article in 2021. The article was titled 《Organically templated metal phosphate-oxalates: Solvent-free synthesis, crystal structure, and proton conduction》, and you may find the article in Inorganic Chemistry Communications.COA of Formula: C5H12N2 The information in the text is summarized as follows:

Two new metal phosphate-oxalates, namely, H2api·Mn2(H2PO4)2(C2O4)2 (1) and H2mpip·Sc(H2PO4)2(C2O4)·0.5C2O4·1.5H2O (2), were prepared under solvent-free conditions, where api = 1-(3-aminopropyl)imidazole and mpip = 1-methylpiperazine. Compound 1 has a honeycomb-like structure with 12-ring windows. Compound 2 has a one-dimensional structure with scandium phosphate ladders decorated with oxalate ligands. The proton-conducting behaviors of this compound under 95% relative humidity were investigated. In the part of experimental materials, we found many familiar compounds, such as 1-Methylpiperazine(cas: 109-01-3COA of Formula: C5H12N2)

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..COA of Formula: C5H12N2

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

Erol, Meryem; Celik, Ismail; Kuyucuklu, Gulcan published an article in 2021. The article was titled 《Synthesis, Molecular Docking, Molecular Dynamics, DFT and Antimicrobial Activity Studies of 5-substituted-2-(p-methylphenyl)benzoxazole Derivatives》, and you may find the article in Journal of Molecular Structure.Product Details of 109-01-3 The information in the text is summarized as follows:

In this study, new 2-(p-methylphenyl)-5-(2-substituted acetamido)benzoxazole derivatives I [X = N, O; R = H, Me, Meo] were synthesized and antimicrobial activities on six bacteria and their twelve drug-resistant isolates and one fungus and its two drug-resistant isolates were investigated by microdilution method. I [X = O; R = Me] against Staphylococcus aureus isolate and I [X = O; R = Me, MeO] against Escherichia coli isolate showed more potent antimicrobial activity with MIC value of 16μg/mL than some of the reference drugs. The compounds’ I interactions on the DNA gyrase enzyme were evaluated by mol. docking and mol. dynamics simulations. Docked compounds I have demonstrated superimposition in the DNA gyrase ATP binding site with similar protein-ligand interactions. With 50 ns duration mol. dynamics simulations, the average RMSD value of the DNA gyrase subunit B protein and I [X = N, O; R = H, Me, Meo] complexes were measured at about 0.15 nm. The ligands-bound DNA gyrase subunit B protein is a little less RMSF value and more stable than the apoprotein form between 45-49 residues in the active site amino acids region. Geometric optimization parameters, HOMO-LUMO orbital energies, and other electronic parameters derived from these energies, MEP, and NBO anal. were performed the DFT/B3LYP theory and 6-311G (d,p) basis set. The ΔE: LUMO-HOMO of the two most active compounds I [X = O; R = Me, MeO] were 4.2928 and 4.3219, resp. The compounds’ I predicted ADME profiles were in line with Lipinski and other limiting rules. In the part of experimental materials, we found many familiar compounds, such as 1-Methylpiperazine(cas: 109-01-3Product Details of 109-01-3)

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..Product Details of 109-01-3

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

SDS of cas: 109-01-3In 2021 ,《Synthesis and antimicrobial activity evaluation of some new 7-substituted quinolin-8-ol derivatives: POM analyses, docking, and identification of antibacterial pharmacophore sites》 appeared in Chemical Data Collections. The author of the article were Faydy, Mohamed El; Dahaieh, Naoufal; Ounine, Khadija; Rastija, Vesna; Almalki, Faisal; Jamalis, Joazaizulfazli; Zarrouk, Abdelkader; Hadda, Taibi Ben; Lakhrissi, Brahim. The article conveys some information:

Eight new 7-substituted quinolin-8-ol derivatives were synthesized in moderate to good yields through quinolin-8-ol, and secondary amines as the starting reagents. The antimicrobial activity of this new series of heterocyclic compounds has been achieved “”in vitro”” against some bacterial strains by means of the disk method, and most of the tested compounds have shown comparable or greater antibacterial activity than nitroxoline (standard antibiotic). It was very motivating to observe that POM (Petra/Osiris/Molinspiration) bioinformatic analyses of compound 7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol exhibited better antibacterial activity (MIC = 10μg/mL against B. subtilis bacteria), and higher drug score (DS = 0.57) compared with Nitroxoline (DS = 0.47; MIC = 20μg/mL). Mol. docking investigations were also conducted to investigate the binding affinities as well as interactions of some compounds with the target proteins. The results came from multiple reactions, including the reaction of 1-Methylpiperazine(cas: 109-01-3SDS of cas: 109-01-3)

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..SDS of cas: 109-01-3

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

HPLC of Formula: 84807-09-0On September 12, 2002 ,《Synthesis and Molecular Modeling of New 1-Aryl-3-[4-arylpiperazin-1-yl]-1-propane Derivatives with High Affinity at the Serotonin Transporter and at 5-HT1A Receptors》 was published in Journal of Medicinal Chemistry. The article was written by Orus, Lara; Perez-Silanes, Silvia; Oficialdegui, Ana-M.; Martinez-Esparza, Javier; Del Castillo, Juan-C.; Mourelle, Marisa; Langer, Thierry; Guccione, Salvatore; Donzella, Giuseppina; Krovat, Eva M.; Poptodorov, Konstantin; Lasheras, Berta; Ballaz, Santiago; Hervias, Isabel; Tordera, Rosa; Del Rio, Joaquin; Monge, Antonio. The article contains the following contents:

It has been proposed that 5-HT1A receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane mol. hybrids were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor affinity. The design was based in coupling structural moieties related to inhibition of serotonin reuptake, such as benzo[b]thiophene derivatives to arylpiperazines, typical 5-HT1A receptor ligands. In binding studies, several compounds showed affinity at the 5-HT transporter and at 5-HT1A receptors. Mol. modeling studies predicted the pharmacophore elements required for high affinity binding and the features that enable to discriminate between agonist, partial agonist, or antagonist action at 5-HT1A receptors and 5-HT transporter inhibition. Solvent interactions in desolvation prior to the binding step along with enthalpy and entropy compensations might be responsible to explain agonist, partial agonist, and antagonist character. Hydrogen-bonding capability seems to be important to break hydrogen interhelical hydrogen bonds or alternatively to form other bonds upon ligand binding. Partial agonists and antagonists are unable to do this as the full agonist, which interacts closely by long-range forces or directly. The compounds showing the higher affinity at both the 5-HT transporter (Ki<50 nM) and the 5-HT1A receptors (Ki<20 nM) were further explored for their ability to stimulate [35S]GTPγS binding or to antagonize 8-hydroxy-2-di-n-propylamino-tetralin (8-OH-DPAT)-stimulated [35]GTPγS binding to rat hippocampal membranes, an index of agonist/antagonist action at 5-HT1A receptors, resp. Functional characterization was performed by measuring the antagonism to 8-OH-DPAT-induced hypothermia in mice. The experimental process involved the reaction of 4-(Piperazin-1-yl)-1H-indole(cas: 84807-09-0HPLC of Formula: 84807-09-0)

4-(Piperazin-1-yl)-1H-indole(cas: 84807-09-0) belongs to piperazines. Piperazines are very broad chemical group, covering a wide range of drugs from antidepressants to antihistamines.HPLC of Formula: 84807-09-0

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