Day: November 7, 2022

On January 1, 2014, Gitto, Rosaria; De Luca, Laura; Ferro, Stefania; Scala, Angela; Ronsisvalle, Simone; Parenti, Carmela; Prezzavento, Orazio; Buemi, Maria Rosa; Chimirri, Alba published an article.Formula: C11H14ClNO The title of the article was From NMDA receptor antagonists to discovery of selective σ2 receptor ligands. And the article contained the following:

Following previous studies focused on the search for new mols. targeting GluN2B-containing NMDA, a small series of 1-(1H-indol-3-yl)-2-(4-phenylpiperidin-1-yl)ethanone derivatives has been synthesized by using Microwave Assisted Organic Synthesis (MAOS). Given that GluN2B ligands frequently exert off-target effects we also tested their affinity towards sigma receptors. Binding assay revealed that only the 1-(5-hydroxy-1H-indol-3-yl)-2-(4-phenylpiperidin-1-yl)ethanone (7a) retained GluN2B affinity. Interestingly, the 5-methoxyindoles 5a and 6a were efficient and selective ligands toward σ2 receptor (Ki values of 10 nM and 20 nM, resp.). Thus, in this case the discovery of new σ2 receptor selective ligands was an unexpected result emerging from the screening of cross-activity against other CNS receptors. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Formula: C11H14ClNO

The Article related to indole derivative preparation binding glun2b nmda receptor structure, glun2b/nmda, glutamate, ifenprodil, indoles, sigma receptor, Pharmacology: Structure-Activity and other aspects.Formula: C11H14ClNO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On October 15, 2015, Kusumi, Kensuke; Shinozaki, Koji; Yamaura, Yoshiyuki; Hashimoto, Ai; Kurata, Haruto; Naganawa, Atsushi; Ueda, Hideyuki; Otsuki, Kazuhiro; Matsushita, Takeshi; Sekiguchi, Tetsuya; Kakuuchi, Akito; Seko, Takuya published an article.Safety of 4-(4-Chlorophenyl)piperidin-4-ol The title of the article was Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis(aryloxy)benzene derivatives. And the article contained the following:

The initial lead compound was modified to improve its metabolic stability. The resulting compound showed excellent metabolic stability in rat and human liver microsomes. The authors subsequently designed and synthesized compound N-[3-[4-(aminocarbonyl)phenoxy]-5-(4-fluorophenoxy)phenyl]-4-(4-chlorophenyl)-4-hydroxy-1-piperidinecarboxamide (I), which showed improved S1P2 antagonist activity and good metabolic stability. The subsequent introduction of a carboxylic acid moiety into I resulted in 4-[3-(4-fluorophenoxy)-5-[[[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]carbonyl]amino]phenoxy]benzoic acid (II), which showed potent antagonist activity towards S1P2 with a much smaller species difference between human S1P2 and rat S1P2. Compound II also showed good metabolic stability and an improved safety profile compared with compound I. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Safety of 4-(4-Chlorophenyl)piperidin-4-ol

The Article related to aryloxybenzene preparation pharmacokinetics, antagonist, g protein-coupled receptors, metabolic stability, sphingosine-1-phosphate receptor 2, Pharmacology: Structure-Activity and other aspects.Safety of 4-(4-Chlorophenyl)piperidin-4-ol

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Burslem, George M.; Ottis, Philipp; Jaime-Figueroa, Saul; Morgan, Alicia; Cromm, Philipp M.; Toure, Momar; Crews, Craig M. published an article in 2018, the title of the article was Efficient Synthesis of Immunomodulatory Drug Analogues Enables Exploration of Structure-Degradation Relationships.Safety of 2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindoline-5-carboxylic acid And the article contains the following content:

The immunomodulatory drugs (IMiDs) thalidomide, pomalidomide, and lenalidomide have been approved for the treatment of multiple myeloma for many years. Recently, their use as E3 ligase recruiting elements for small-mol.-induced protein degradation has led to a resurgence in interest in IMiD synthesis and functionalization. Traditional IMiD synthesis follows a stepwise route with multiple purification steps. Herein we describe a novel one-pot synthesis without purification that provides rapid access to a multitude of IMiD analogs. Binding studies with the IMiD target protein cereblon (CRBN) reveals a narrow structure-activity relationship with only a few compounds showing sub-micromolar binding affinity in the range of pomalidomide and lenalidomide. However, anti-proliferative activity as well as Aiolos degradation could be identified for two IMiD analogs. This study provides useful insight into the structure-degradation relationships for mols. of this type as well as a rapid and robust method for IMiD synthesis. The experimental process involved the reaction of 2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindoline-5-carboxylic acid(cas: 1216805-11-6).Safety of 2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindoline-5-carboxylic acid

The Article related to immunomodulator analog preparation structure protein degradation, cereblon, condensation reactions, imides, immunomodulatory drugs, protein degradation, Pharmacology: Structure-Activity and other aspects.Safety of 2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindoline-5-carboxylic acid

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On August 15, 2016, Etukala, Jagan R.; Zhu, Xue Y.; Eyunni, Suresh V. K.; Onyameh, Edem K.; Ofori, Edward; Bricker, Barbara A.; Kang, Hye J.; Huang, Xi-Ping; Roth, Bryan L.; Ablordeppey, Seth Y. published an article.Computed Properties of 39512-49-7 The title of the article was Development of CNS multi-receptor ligands: Modification of known D2 pharmacophores. And the article contained the following:

Several known D2 pharmacophores have been explored as templates for identifying ligands with multiple binding affinities at dopamine and serotonin receptors considered as clin. relevant receptors in the treatment of neuropsychiatric diseases. This approach has resulted in the identification of ligands that target multiple CNS receptors while avoiding others associated with deleterious effects. Three compounds including I may have potential for further development as antipsychotic agents as they favorably interact with the clin. relevant receptors including D2R, 5-HT1AR, and 5-HT7R. The authors have also identified the pair of compounds I and II as high affinity D2R ligands with and without SERT binding affinities, resp. These differential binding profiles endow the pair with the potential for evaluating SERT contributions to antipsychotic drug activity in animal behavioral models. In addition, compound I has no significant affinity for 5-HT2CR and binds only moderately to the H1R, suggesting it may not induce weight gain or sedation when used clin. Taken together, compound I displays an interesting pharmacol. profile that necessitates the evaluation of its functional and in vivo effects in animal models which are currently ongoing. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Computed Properties of 39512-49-7

The Article related to central nervous system receptor ligand d2 pharmacophore antipsychotic, antipsychotic, cns receptor, dopamine receptor ligands, multi-receptor targeting, pharmacophore, Pharmacology: Structure-Activity and other aspects.Computed Properties of 39512-49-7

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On March 9, 2022, Rodrigalvarez, Jesus; Reeve, Luke A.; Miro, Javier; Gaunt, Matthew J. published an article.Formula: C11H14ClNO The title of the article was Pd(II)-Catalyzed Enantioselective C(sp3)-H Arylation of Cyclopropanes and Cyclobutanes Guided by Tertiary Alkylamines. And the article contained the following:

Here, a palladium-catalyzed enantioselective C(sp3)-H arylation of aminomethyl-cyclopropanes I [R = H, Me, (CH2)2OMe, 4-ClC6H44; R1 = NMe2, NEt2, N-piperidinyl, etc.; Ar = Ph, 2-naphthyl, 6-Cl-3-pyridinyl, etc.; n = 1] and -cyclobutanes I [n = 2] with aryl boronic acids was reported. A range of native tertiary alkylamine groups were able to direct C-H cleavage and forge carbon-aryl bonds on the strained cycloalkanes framework as single diastereomers and with excellent enantiomeric ratios. Central to the success of this strategy was the use of a simple N-acetyl amino acid ligand, which not only controls the enantioselectivity but also promotes γ-C-H activation of over other pathways. Computational anal. of the cyclopalladation step provided an understanding of how enantioselective C-H cleavage occurred and revealed distinct transition structures to our previous work on enantioselective desymmetrization of N-iso-Bu tertiary alkylamines. This straightforward and operationally simple method simplified the construction of functionalized aminomethyl-strained cycloalkanes, which was believed will find widespread use in academic and industrial settings relating to the synthesis of biol. active small mols. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Formula: C11H14ClNO

The Article related to diarylated aminomethyl cycloalkane enantioselective preparation, aminomethyl cycloalkane palladium catalyzed enantioselective arylation, Alicyclic Compounds: Cyclobutanes and other aspects.Formula: C11H14ClNO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On April 30, 2018, Mieszkowski, Dominik; Sroka, Wiktor Dariusz; Marszall, Michat Piotr published an article.Category: piperidines The title of the article was Ionic liquids as separation enhancers of haloperidol and its two metabolites in high-performance thin-layer chromatography supported with mass spectrometry. And the article contained the following:

High-performance thin-layer chromatog. (HPTLC)-densitometric method of haloperidol (HP) and its two metabolites (reduced haloperidol [RHP], 4-(4-chlorophenyl)-4-hydroxypiperidine [CPHP]) from human plasma has been developed by use of mobile-phase additives. The influence of the type of inorganic/organic additive on the retention of the studied compounds was evaluated. The chromatog. process was carried out with traditional mobile phase modifiers and 1-alkyl-imidazolium ionic liquid as separation enhancers, in the presence of chlorpromazine as internal standard 1-Ethyl-3-methylimidazolium tetrafluoroborate ([emim][BF4]) ionic liquid offered good selectivity in comparison with traditional mobile phase additives. The studied drugs were well distributed as the RF values were 0.31 for chlorpromazine hydrochloride (CPZ), 0.38 for HP, 0.44 for CPHP, and 0.58 for RHP, resp., with no apparent broadening and overlapping of spots. The test compounds were extracted using acetonitrile as precipitation agent. The identity of the bands from human plasma was addnl. confirmed by rapid and contamination-free CAMAG thin-layer chromatog.-mass spectrometry (TLC-MS) interface. The limit of detection (LOD) values obtained by densitometry scanning were 0.1807, 0.3158, and 0.3924μg spot-1 (for HP, RHP, and CPHP), whereas the limit of quantification (LOQ) values for the presented method were 0.5476, 0.9570, and 1.1892μg spot-1 (for HP, RHP, and CPHP). Recovery values of all tested compounds were in the range from 95.43% to 99.60% (intra-day) and 96.13% to 103.18% (inter-day);%RSD did not exceed the value of 5%. The results confirm the pos. effect of ionic liquids in the separation process related to their silanol blocking properties and their suitability for use in thin-layer chromatog./mass spectrometry method. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Category: piperidines

The Article related to ionic liquid haloperidol metabolite thin layer chromatog mass spectrometry, Organic Analytical Chemistry: Other and other aspects.Category: piperidines

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On April 30, 2014, Chai, Christina L. L.; Teo, Serena L. M.; Jameson, Felicity K. M.; Lee, Serina S. C.; Likhitsup, Asawin; Chen, Chia-Lung; Rittschof, Dan published an article.Synthetic Route of 39512-49-7 The title of the article was Loperamide-based compounds as additives for biofouling management. And the article contained the following:

The com. pharmaceutical Imodium, which contains the active ingredient loperamide hydrochloride, has been shown to have biofouling control properties. However, due to concerns associated with safety and persistence of this active pharmaceutical ingredient (API) in the environment, the development of loperamide as an anti-fouling additive is not desirable. In this paper, we report our efforts directed towards the design and synthesis of small mol. anti-foulants using the loperamide parent compound as the lead compound These loperamide-based compounds can be synthesized readily and inexpensively. Several of the compounds identified are potentially useful as additives in marine antifouling coatings as they control attachment of barnacles in laboratory tests and an estimation program (BIOWIN) developed by the US Environmental Protection Agency predicts that they will degrade completely in weeks to months. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Synthetic Route of 39512-49-7

The Article related to balanus loperamide additive marine antifouling coating material, Agrochemical Bioregulators: Microbial and other aspects.Synthetic Route of 39512-49-7

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On December 31, 2020, Xu, Mengyu; Wang, Chun-Hung; Terracciano, Anthony C.; Masunov, Artem E.; Vasu, Subith S. published an article.SDS of cas: 39512-49-7 The title of the article was High accuracy machine learning identification of fentanyl-relevant molecular compound classification via constituent functional group analysis. And the article contained the following:

Fentanyl is an anesthetic with a high bioavailability and is the leading cause of drug overdose death in the U. S. Fentanyl and its derivatives have a low LD and street drugs which contain such compounds may lead to death of the user and simultaneously pose hazards for first responders. Rapid identification methods of both known and emerging opioid fentanyl substances is crucial. In this effort, machine learning (ML) is applied in a systematic manner to identify fentanyl-related functional groups in such compounds based on their observed spectral properties. In our study, accurate IR (IR) spectra of common organic mols. which contain functional groups that are constituents of fentanyl is determined by investigating the structure-property relationship. The average accuracy rate of correctly identifying the functional groups of interest is 92.5% on our testing data. All the IR spectra of 632 organic mols. are from National Institute of Standards and Technol. (NIST) database as the training set and are assessed. Results from this work will provide Artificial Intelligence (AI) based tools and algorithms increased confidence, which serves as a basis to detect fentanyl and its derivatives The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).SDS of cas: 39512-49-7

The Article related to fentanyl mol compound classification machine learning functional group analysis, Toxicology: Methods (Including Analysis) and other aspects.SDS of cas: 39512-49-7

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On February 29, 2020, Daerr, Markus; Pabel, Joerg; Hoefner, Georg; Mayer, Peter; Wanner, Klaus T. published an article.Safety of 4-(4-Chlorophenyl)piperidin-4-ol The title of the article was Synthesis and biological evaluation of fluorescent GAT-ligands based on meso-substituted BODIPY dyes. And the article contained the following:

BODIPY dyes are known for their outstanding spectroscopic properties and are therefore established in a range of fluorescence based anal. techniques for in vitro as well as for in vivo measurements. For the first time, the authors designed and synthesized a series of fluorescent ligands for the SLC6 family transporters mGAT1-mGAT4 based on BODIPY dyes as fluorogenic subunits. In the novel series of fluorescent compounds, BODIPY dye subunits are linked with an alkyl chain of three to five carbon atoms that originates from the meso-position of the BODIPY dye to the amino function of different cyclic amines. Screening of these fluorescent probes for their biol. activity as GABA uptake inhibitors of mGAT1-mGAT4 revealed ligands with pIC50 values up to 5.35. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Safety of 4-(4-Chlorophenyl)piperidin-4-ol

The Article related to fluorescent gat ligand bodipy dye, Placeholder for records without volume info and other aspects.Safety of 4-(4-Chlorophenyl)piperidin-4-ol

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On October 31, 2022, Karakaya, Guelsah; Tuere, Asli; Ozdemir, Aysun; Ozcelik, Berrin; Aytemir, Mutlu published an article.Related Products of 39512-49-7 The title of the article was Synthesis and molecular modeling of some novel hydroxypyrone derivatives as antidermatophytic agents. And the article contained the following:

Dermatophytes are pathogenic fungi, comprising the major cause of superficial fungal infections called dermatophytes. Although they infect keratinized tissues such as skin, nail, and hair, invasive serious infections may occur in immunocompromised patients. However, current antifungal drugs show considerable drawbacks, such as toxicity and multiple drug resistance, compelling and directing researches for new antidermatophyte agents. Herein, a series of hydroxypyrone bearing compounds inspired from the natural metabolite kojic acid was reported. Their antidermatophytic effects of the compounds against Microsporum gypseum, Trichophyton mentagrophytes var. erinaceid, and Epidermophyton floccosum were evaluated. The cytotoxicity of the compounds on healthy (MRC-5) and carcinogenic (He-La) cell lines was also investigated, and their cytopathogenic effects were expressed as maximum non-toxic concentrations According to the activity studies, compounds 10 and 22 were found as the most promising antidermatophytic agents (MIC: 2 μg/mL), exhibiting comparable effect with that of griseofulvin (MIC: 0.5-1 μg/mL) and terbinafine (MIC: 0.125-0.5 μg/mL) which are the most widely used agents for treating mycoses caused by dermatophytes. Mol. docking anal. of the most active compounds, compound 10 and compound 22, with homol. model of β-tubulin protein was carried out to investigate the possible binding conformation of the compounds in the targeted macromol. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Related Products of 39512-49-7

The Article related to microsporum trichophyton epidermophyton hydroxypyrone mol modeling antifungal, Placeholder for records without volume info and other aspects.Related Products of 39512-49-7

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem