Category: 39512-49-7

On June 12, 2014, Szabo, Monika; Klein Herenbrink, Carmen; Christopoulos, Arthur; Lane, J. Robert; Capuano, Ben published an article.Computed Properties of 39512-49-7 The title of the article was Structure-Activity Relationships of Privileged Structures Lead to the Discovery of Novel Biased Ligands at the Dopamine D2 Receptor. And the article contained the following:

Biased agonism at GPCRs highlights the potential for the discovery and design of pathway-selective ligands and may confer therapeutic advantages to ligands targeting the dopamine D2 receptor (D2R). We investigated the determinants of efficacy, affinity, and bias for three privileged structures for the D2R, exploring changes to linker length and incorporation of a heterocyclic unit. Profiling the compounds in two signaling assays (cAMP and pERK1/2) allowed us to identify and quantify determinants of biased agonism at the D2R. Substitution on the phenylpiperazine privileged structures (2-methoxy vs 2,3-dichloro) influenced bias when the thienopyridine heterocycle was absent. Upon inclusion of the thienopyridine unit, the substitution pattern (4,6-di-Me vs 5-chloro-6-methoxy-4-methyl) had a significant effect on bias that overruled the effect of the phenylpiperazine substitution pattern. This latter observation could be reconciled with an extended binding mode for these compounds, whereby the interaction of the heterocycle with a secondary binding pocket may engender bias. 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 methoxyphenylpiperazine linker d2 receptor ligand preparation sar, Pharmacology: Structure-Activity and other aspects.Computed Properties of 39512-49-7

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Yue, Liyan; Du, Juanjuan; Ye, Fei; Chen, Zhifeng; Li, Lianchun; Lian, Fulin; Zhang, Bidong; Zhang, Yuanyuan; Jiang, Hualiang; Chen, Kaixian; Li, Yuanchao; Zhou, Bing; Zhang, Naixia; Yang, Yaxi; Luo, Cheng published an article in 2016, the title of the article was Identification of novel small-molecule inhibitors targeting menin-MLL interaction, repurposing the antidiarrheal loperamide.Reference of 4-(4-Chlorophenyl)piperidin-4-ol And the article contains the following content:

Leukemia with a mixed lineage leukemia (MLL) rearrangement, which harbors a variety of MLL fusion proteins, has a poor prognosis despite the latest improved treatment options. Menin has been reported to be a required cofactor for the leukemogenic activity of MLL fusion proteins. Thus, the disruption of the protein-protein interactions between menin and MLL represents a very promising strategy for curing MLL leukemia. Making use of menin-MLL inhibitors with a shape-based scaffold hopping approach, the authors have discovered that the antidiarrheal loperamide displays previously unreported mild inhibition for the menin-MLL interaction (IC50 = 69±3 μM). In an effort to repurpose this drug, a series of chem. modification analyses was performed, and three of the loperamide-based analogs, DC_YM21, DC_YM25 and DC_YM26 displayed better activities with IC50 values of 0.83±0.13 μM, 0.69±0.07 μM and 0.66±0.05 μM, resp. Further treatment with DC_YM21 demonstrated potent and selective blockage of proliferation and induction of both cell cycle arrest and differentiation of leukemia cells harboring MLL translocations, which confirmed the specific mechanism of action. In conclusion, mols. of a novel scaffold targeting menin-MLL interactions were reported and they may serve as new potential therapeutic agents for MLL leukemia. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Reference of 4-(4-Chlorophenyl)piperidin-4-ol

The Article related to menin mll inhibitor interaction loperamide antitumor leukemia, Pharmacology: Structure-Activity and other aspects.Reference of 4-(4-Chlorophenyl)piperidin-4-ol

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Yue, Liyan; Du, Juanjuan; Ye, Fei; Chen, Zhifeng; Li, Lianchun; Lian, Fulin; Zhang, Bidong; Zhang, Yuanyuan; Jiang, Hualiang; Chen, Kaixian; Li, Yuanchao; Zhou, Bing; Zhang, Naixia; Yang, Yaxi; Luo, Cheng published an article in 2016, the title of the article was Identification of novel small-molecule inhibitors targeting menin-MLL interaction, repurposing the antidiarrheal loperamide.Reference of 4-(4-Chlorophenyl)piperidin-4-ol And the article contains the following content:

Leukemia with a mixed lineage leukemia (MLL) rearrangement, which harbors a variety of MLL fusion proteins, has a poor prognosis despite the latest improved treatment options. Menin has been reported to be a required cofactor for the leukemogenic activity of MLL fusion proteins. Thus, the disruption of the protein-protein interactions between menin and MLL represents a very promising strategy for curing MLL leukemia. Making use of menin-MLL inhibitors with a shape-based scaffold hopping approach, the authors have discovered that the antidiarrheal loperamide displays previously unreported mild inhibition for the menin-MLL interaction (IC50 = 69±3 μM). In an effort to repurpose this drug, a series of chem. modification analyses was performed, and three of the loperamide-based analogs, DC_YM21, DC_YM25 and DC_YM26 displayed better activities with IC50 values of 0.83±0.13 μM, 0.69±0.07 μM and 0.66±0.05 μM, resp. Further treatment with DC_YM21 demonstrated potent and selective blockage of proliferation and induction of both cell cycle arrest and differentiation of leukemia cells harboring MLL translocations, which confirmed the specific mechanism of action. In conclusion, mols. of a novel scaffold targeting menin-MLL interactions were reported and they may serve as new potential therapeutic agents for MLL leukemia. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Reference of 4-(4-Chlorophenyl)piperidin-4-ol

The Article related to menin mll inhibitor interaction loperamide antitumor leukemia, Pharmacology: Structure-Activity and other aspects.Reference of 4-(4-Chlorophenyl)piperidin-4-ol

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On June 12, 2014, Szabo, Monika; Klein Herenbrink, Carmen; Christopoulos, Arthur; Lane, J. Robert; Capuano, Ben published an article.Computed Properties of 39512-49-7 The title of the article was Structure-Activity Relationships of Privileged Structures Lead to the Discovery of Novel Biased Ligands at the Dopamine D2 Receptor. And the article contained the following:

Biased agonism at GPCRs highlights the potential for the discovery and design of pathway-selective ligands and may confer therapeutic advantages to ligands targeting the dopamine D2 receptor (D2R). We investigated the determinants of efficacy, affinity, and bias for three privileged structures for the D2R, exploring changes to linker length and incorporation of a heterocyclic unit. Profiling the compounds in two signaling assays (cAMP and pERK1/2) allowed us to identify and quantify determinants of biased agonism at the D2R. Substitution on the phenylpiperazine privileged structures (2-methoxy vs 2,3-dichloro) influenced bias when the thienopyridine heterocycle was absent. Upon inclusion of the thienopyridine unit, the substitution pattern (4,6-di-Me vs 5-chloro-6-methoxy-4-methyl) had a significant effect on bias that overruled the effect of the phenylpiperazine substitution pattern. This latter observation could be reconciled with an extended binding mode for these compounds, whereby the interaction of the heterocycle with a secondary binding pocket may engender bias. 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 methoxyphenylpiperazine linker d2 receptor ligand preparation sar, Pharmacology: Structure-Activity and other aspects.Computed Properties of 39512-49-7

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On November 26, 2012, Cavallaro, Cullen L.; Briceno, Stephanie; Chen, Jing; Cvijic, Mary Ellen; Davies, Paul; Hynes, John; Liu, Rui-Qin; Mandlekar, Sandhya; Rose, Anne V.; Tebben, Andrew J.; Van Kirk, Katy; Watson, Andrew; Wu, Hong; Yang, Guchen; Carter, Percy H. published an article.Computed Properties of 39512-49-7 The title of the article was Discovery and Lead Optimization of a Novel Series of CC Chemokine Receptor 1 (CCR1)-Selective Piperidine Antagonists via Parallel Synthesis. And the article contained the following:

A series of novel, potent CCR1 inhibitors was developed from a moderately active hit using an iterative parallel synthesis approach. The initial hit (composed of three subunits: an amine, a central amino acid, and an N-terminal cap) became the basis for a series of parallel chem. libraries designed to generate SAR data. Libraries were synthesized that explored each of the three subunits; the CCR1 binding data obtained revealed the following: changes to the amine are not well tolerated; small alkylamino acids are preferred in the center of the mol.; substitutions at the N-terminus are generally well tolerated. These data were used to drive the optimization of the series, ultimately providing a lead with a CCR1 binding IC50 of 28 nM (48). This lead demonstrates high selectivity for CCR1 over other CCR-family members, high microsomal stability, and good pharmacokinetics in mice. 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 structure activity preparation chemokine receptor ccr1 antagonist, Pharmacology: Structure-Activity and other aspects.Computed Properties of 39512-49-7

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On April 20, 2018, Amato, Anastasia; Lucas, Xavier; Bortoluzzi, Alessio; Wright, David; Ciulli, Alessio published an article.Safety of 4-(4-Chlorophenyl)piperidin-4-ol The title of the article was Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach. And the article contained the following:

Plant homeodomain (PHD) zinc fingers are histone reader domains that are often associated with human diseases. Despite this, they constitute a poorly targeted class of readers, suggesting low ligandability. Here, the authors describe a successful fragment-based campaign targeting PHD fingers from the proteins BAZ2A and BAZ2B as model systems. The authors validated a pool of in silico fragments both biophys. and structurally and solved the first crystal structures of PHD zinc fingers in complex with fragments bound to an anchoring pocket at the histone binding site. The best-validated hits displace a histone H3 tail peptide in competition assays. This work identifies new chem. scaffolds that provide suitable starting points for future ligand optimization using structure-guided approaches. The demonstrated ligandability of the PHD reader domains could pave the way for the development of chem. probes to drug this family of epigenetic readers. 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 ligandable pocket plant homeodomain zinc finger domain drug scanning, Pharmacology: Structure-Activity and other aspects.Safety of 4-(4-Chlorophenyl)piperidin-4-ol

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

On February 1, 2012, Peprah, Kwakye; Zhu, Xue Y.; Eyunni, Suresh V. K.; Setola, Vincent; Roth, Bryan L.; Ablordeppey, Seth Y. published an article.Application In Synthesis of 4-(4-Chlorophenyl)piperidin-4-ol The title of the article was Multi-receptor drug design: Haloperidol as a scaffold for the design and synthesis of atypical antipsychotic agents. And the article contained the following:

Using haloperidol as a scaffold, new agents were designed to investigate the structural contributions of various groups to binding at CNS receptors associated with atypical antipsychotic pharmacol. It is clear that each pharmacophoric group, the butyrophenone, the piperidine and the 4-chlorophenyl moieties contributes to changes in binding to the receptors of interest. This strategy has resulted in the identification of several new agents, compounds 16, 18, 19, 23, 24 and 25, with binding profiles which satisfy our stated criteria for agents to act as potential atypical antipsychotics. This research demonstrates that haloperidol can serve as a useful lead in the identification and design of new agents that target multiple receptors associated with antipsychotic pharmacol. The experimental process involved the reaction of 4-(4-Chlorophenyl)piperidin-4-ol(cas: 39512-49-7).Application In Synthesis of 4-(4-Chlorophenyl)piperidin-4-ol

The Article related to haloperidol scaffold design synthesis atypical antipsychotic structure, Pharmacology: Structure-Activity and other aspects.Application In Synthesis of 4-(4-Chlorophenyl)piperidin-4-ol

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

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