Day: February 22, 2023

Allyloxy ketones as efficient photoinitiators with high migration stability in free radical polymerization and three dimensional printing was written by Xu, Yangyang;Noirbent, Guillaume;Brunel, Damien;Ding, Zhaofu;Gigmes, Didier;Graff, Bernadette;Xiao, Pu;Dumur, Frederic;Lalevee, Jacques. And the article was included in Dyes and Pigments in 2021.Category: piperidines This article mentions the following:

Five ketone derivatives (ketone-1-ketone-5) never synthesized in the literature and containing the same peripheral 1,3-bis(allyloxy)benzene substituting group but different central cyclohexanone cores were designed and proposed as high-performance photoinitiators for the free radical polymerization of acrylates under mild conditions. In combination with an amine and an iodonium salt (Iod), these ketones could initiate the photopolymerization of di(trimethylolpropane) tetraacrylate (TA), a tetrafunctional acrylates monomer, upon visible LED irradiation at room temperature in both thick films (1.4 mm) and thin films (25μm) conditions. The distinct photopolymerization profiles of acrylates were studied by real time fourier transform IR spectroscopy, which indicated that the ketone-2/amine/Iod system could induce the highest final conversion of acrylates in thick films condition, while ketone-5/amine/Iod system could induce the highest final conversion of acrylates in thin films condition. Photoreactivity of ketone-2 and ketone-5 was systematically investigated by steady state photolysis and fluorescence quenching experiments in the presence of an amine and an iodonium salt, resp. Moreover, eminent migration stability of ketones in photocured TA was observed Finally, the ketone-2 and ketone-5-based three-component photoinitiating systems were applied for the laser writing experiments of TA, and macroscopically tridimensional patterns were fabricated with an excellent spatial resolution In the experiment, the researchers used many compounds, for example, 1-Ethylpiperidin-4-one (cas: 3612-18-8Category: piperidines).

1-Ethylpiperidin-4-one (cas: 3612-18-8) belongs to piperidine derivatives. The piperidine moiety constitutes an important building block for the synthesis of a variety of bioactive natural products, alkaloids and other drugs. Piperidine prefers a chair conformation, similar to cyclohexane. Unlike cyclohexane, piperidine has two distinguishable chair conformations: one with the N–H bond in an axial position, and the other in an equatorial position.Category: piperidines

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Assessment of Three Human in Vitro Systems in the Generation of Major Human Excretory and Circulating Metabolites was written by Dalvie, Deepak;Obach, R. Scott;Kang, Ping;Prakash, Chandra;Loi, Cho-Ming;Hurst, Susan;Nedderman, Angus;Goulet, Lance;Smith, Evan;Bu, Hai-Zhi;Smith, Dennis A.. And the article was included in Chemical Research in Toxicology in 2009.SDS of cas: 134234-12-1 This article mentions the following:

An early understanding of key metabolites of drugs is crucial in drug discovery and development. As a result, several in vitro models typically derived from liver are frequently used to study drug metabolism It is presumed that these in vitro systems provide an accurate view of the potential in vivo metabolites and metabolic pathways. However, no formal anal. has been conducted to validate their use. The goal of the present study was to conduct a comprehensive anal. to assess if the three commonly used in vitro systems, pooled human liver microsomes, liver S-9 fraction, and hepatocytes, adequately predict in vivo metabolic profiles for drugs. The second objective was to compare the overall capabilities of these three systems to generate in vivo metabolic profiles. Twenty-seven compounds in the Pfizer database and 21 addnl. com. available compounds of diverse structure and routes of metabolism for which the human ADME data was available were analyzed in this study to assess the performance of the in vitro systems. The results suggested that all three systems reliably predicted human excretory and circulating metabolite profiles. Furthermore, the success in predicting primary metabolites and metabolic pathways was high (>70%), but the predictability of secondary metabolites was less reliable in the three systems. Thus, the anal. provides sufficient confidence in using in vitro systems to reliably produce primary in vivo human metabolites and supports their application in early discovery to identify metabolic spots for optimization of metabolic liabilities anticipated in humans in vivo. However, the in vitro systems cannot solely mitigate the risk of disproportionate circulating metabolites in humans and may need to be supplemented with metabolic profiling of plasma samples from first-in-human studies or early human radiolabeled studies. In the experiment, the researchers used many compounds, for example, 1-((1S,2S)-1-Hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol (cas: 134234-12-1SDS of cas: 134234-12-1).

1-((1S,2S)-1-Hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol (cas: 134234-12-1) belongs to piperidine derivatives. The piperidine structural motif is present in numerous natural alkaloids. These include piperine, which gives black pepper its spicy taste. Some chemotherapeutic agents have piperidine moiety within their structure, foremost among them, vinblastine and raloxifene.SDS of cas: 134234-12-1

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Synthesis and bioactivities of novel 4,5,6,7-Tetrahydrothieno[2,3-c]pyridines as inhibitors of tumor necrosis factor-α (TNF-α) production was written by Fujita, Masakazu;Seki, Taketsugu;Inada, Haruaki;Ikeda, Naoko. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2002.Electric Literature of C7H13NO This article mentions the following:

Novel 4,5,6,7-tetrahydrothieno[2,3-c]pyridine derivatives were synthesized and evaluated for their abilities to inhibit lipopolysaccharide (LPS)-stimulated production of TNF-α in rat whole blood. Several of these compounds exhibited potent inhibitory activity. In the experiment, the researchers used many compounds, for example, 1-Ethylpiperidin-4-one (cas: 3612-18-8Electric Literature of C7H13NO).

1-Ethylpiperidin-4-one (cas: 3612-18-8) belongs to piperidine derivatives. The piperidine moiety constitutes an important building block for the synthesis of a variety of bioactive natural products, alkaloids and other drugs. Several piperidine alkaloids isolated from natural herbs, were found to exhibit antiproliferation and antimetastatic effects on various types of cancers both in vitro and in vivo for example Piperine, Evodiamine, Matrine, Berberine and Tetrandine.Electric Literature of C7H13NO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Formulation and evaluation of mouth dissolving tablet of fexofenadine hydrocloride was written by Talsaniya, Mahendra B.;Dabhi, Mahesh R.;Sheth, Navin R.;Dudhrejiya, Ashvin V.. And the article was included in Pharma Science Monitor in 2017.Reference of 153439-40-8 This article mentions the following:

The purpose of current study was to enhance the solubility and dissolution rate of fexofenadine HCl by co-grinding with different diluents. Simplex lattice design was utilized in the present study. The amount of diluent- X1 (D-mannitol), X2 (lactose), X3 (MCC) were selected as independent variables. Average particle size (Y1), saturation solubility (Y2) and the amount of drug release in 5 min (Y3) were taken as the responses. In each diluent mixture, appropriate amount of fexofenadine HCl mixed. These mixtures were co-ground by ball mill for two different time intervals (3hrs and 6hrs). Prepared phys. mixtures and various co-ground mixtures were evaluated for different densities, flow property, average particle size, drug content, saturation solubility, in vitro dissolution study. From the results co-ground mixture ABII (D-mannitol, lactose and drug co ground for 6 h) was found to be optimized. FTIR and DSC study shows that there was no any interaction between drug and excipients. Contour plot, overlay contour and response surface plot of the variables were prepared by statistic-7. Mouth Dissolving Tablet of optimized co-ground mixture was prepared by direct compression method using sucralose as sweetener and crospovidone as superdisintegrant. Prepared MDTs were evaluated for different pre-compression parameters and different post-compression parameters. All evaluation parameters were passed by prepared MDTs. There was enhancement of solubility of fexofenadine HCl and dissolution rate thus the MDTs shown faster release. In the experiment, the researchers used many compounds, for example, 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid hydrochloride (cas: 153439-40-8Reference of 153439-40-8).

2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid hydrochloride (cas: 153439-40-8) belongs to piperidine derivatives. Piperidine is a metabolite of cadaverine, a polyamine found in the human intestine. The piperidine and polyhydroxylated indolizidine derivatives have shown to be promising α-glucosidase inhibitors. The former are analogs of DNJ with an improved α-glucosidase inhibitory profile than that of DNJ. Boisson et al.Reference of 153439-40-8

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Structure-Based Design of Pseudopeptidic Inhibitors for SIRT1 and SIRT2 was written by Huhtiniemi, Tero;Salo, Heikki S.;Suuronen, Tiina;Poso, Antti;Salminen, Antero;Leppanen, Jukka;Jarho, Elina;Lahtela-Kakkonen, Maija. And the article was included in Journal of Medicinal Chemistry in 2011.Computed Properties of C11H19NO4 This article mentions the following:

The lack of substrate-bound crystal structures of SIRT1 and SIRT2 complicates the drug design for these targets. In this work, we aim to study whether SIRT3 could serve as a target structure in the design of substrate based pseudopeptidic inhibitors of SIRT1 and SIRT2. We created a binding hypothesis for pseudopeptidic inhibitors, synthesized a series of inhibitors, and studied how well the fulfillment of the binding criteria proposed by the hypothesis correlated with the in vitro inhibitory activities. The chosen approach was further validated by studying docking results between 12 different SIRT3, Sir2Tm, SIRT1 and SIRT2 X-ray structures and homol. models in different conformational forms. It was concluded that the created binding hypothesis can be used in the design of the substrate based inhibitors of SIRT1 and SIRT2 although there are some reservations, and it is better to use the substrate-bound structure of SIRT3 instead of the available apo-SIRT2 as the target structure. In the experiment, the researchers used many compounds, for example, (R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid (cas: 163438-09-3Computed Properties of C11H19NO4).

(R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid (cas: 163438-09-3) belongs to piperidine derivatives. Piperidine and its derivatives have become increasingly popular in many synthetic schemes. Industrially, piperidine is produced by the hydrogenation of pyridine, usually over a molybdenum disulfide catalyst. Pyridine can also be reduced to piperidine via a modified Birch reduction using sodium in ethanol.Computed Properties of C11H19NO4

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Classifying Drugs by their Arrhythmogenic Risk Using Machine Learning was written by Sahli-Costabal, Francisco;Seo, Kinya;Ashley, Euan;Kuhl, Ellen. And the article was included in Biophysical Journal in 2020.Recommanded Product: 50-52-2 This article mentions the following:

All medications have adverse effects. Among the most serious of these are cardiac arrhythmias. Current paradigms for drug safety evaluation are costly, lengthy, conservative, and impede efficient drug development. Here, we combine multiscale experiment and simulation, high-performance computing, and machine learning to create a risk estimator to stratify new and existing drugs according to their proarrhythmic potential. We capitalize on recent developments in machine learning and integrate information across 10 orders of magnitude in space and time to provide a holistic picture of the effects of drugs, either individually or in combination with other drugs. We show, both exptl. and computationally, that drug-induced arrhythmias are dominated by the interplay between two currents with opposing effects: the rapid delayed rectifier potassium current and the L-type calcium current. Using Gaussian process classification, we create a classifier that stratifies drugs into safe and arrhythmic domains for any combinations of these two currents. We demonstrate that our classifier correctly identifies the risk categories of 22 common drugs exclusively on the basis of their concentrations at 50% current block. Our new risk assessment tool explains under which conditions blocking the L-type calcium current can delay or even entirely suppress arrhythmogenic events. Using machine learning in drug safety evaluation can provide a more accurate and comprehensive mechanistic assessment of the proarrhythmic potential of new drugs. Our study paves the way toward establishing science-based criteria to accelerate drug development, design safer drugs, and reduce heart rhythm disorders. In the experiment, the researchers used many compounds, for example, 10-(2-(1-Methylpiperidin-2-yl)ethyl)-2-(methylthio)-10H-phenothiazine (cas: 50-52-2Recommanded Product: 50-52-2).

10-(2-(1-Methylpiperidin-2-yl)ethyl)-2-(methylthio)-10H-phenothiazine (cas: 50-52-2) belongs to piperidine derivatives. The piperidine moiety constitutes an important building block for the synthesis of a variety of bioactive natural products, alkaloids and other drugs. Fluorinated piperidines are also the subject of continued interest in medicinal chemistry, for example in the synthesis of selective dipeptidyl peptidase II (DPP II) inhibitors. Piperidine derivatives are also used in solid-phase peptide synthesis (SPPS) and many degradation reactions.Recommanded Product: 50-52-2

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Exploiting the sp² character of bicyclo[1.1.1]pentyl radicals in the transition-metal-free multi-component difunctionalization of [1.1.1]propellane was written by Dong, Weizhe;Yen-Pon, Expedite;Li, Longbo;Bhattacharjee, Ayan;Jolit, Anais;Molander, Gary A.. And the article was included in Nature Chemistry in 2022.Computed Properties of C19H22N2O6 This article mentions the following:

Strained bicyclic substructures are increasingly relevant in medicinal chem. discovery research because of their role as bioisosteres. Over the last decade, the successful use of bicyclo[1.1.1]pentane (BCP) as a para-disubstituted benzene replacement has made it a highly valuable pharmacophore. However, various challenges, including limited and lengthy access to useful BCP building blocks, are hampering early discovery research. Here authors report a single-step transition-metal-free multi-component approach to synthetically versatile BCP boronates. Radicals derived from commonly available carboxylic acids and organo halides perform additions onto [1.1.1]propellane to afford BCP radicals, which then engage in polarity-matched borylation. A wide array of alkyl-, aryl- and alkenyl-functionalized BCP boronates were easily prepared Late-stage functionalization performed on natural products and approved drugs proceeded with good efficiency to generate the corresponding BCP conjugates. Various photoredox transformations forging C-C and C-N bonds were demonstrated by taking advantage of BCP trifluoroborate salts derived from the BCP boronates. In the experiment, the researchers used many compounds, for example, 1-(tert-Butyl) 4-(1,3-dioxoisoindolin-2-yl) piperidine-1,4-dicarboxylate (cas: 1872262-73-1Computed Properties of C19H22N2O6).

1-(tert-Butyl) 4-(1,3-dioxoisoindolin-2-yl) piperidine-1,4-dicarboxylate (cas: 1872262-73-1) belongs to piperidine derivatives. The piperidine ring can be found not only in more than half of the currently known structures of alkaloids, but also in many natural or synthetic compounds with interesting biological activities. Fluorinated piperidines are also the subject of continued interest in medicinal chemistry, for example in the synthesis of selective dipeptidyl peptidase II (DPP II) inhibitors. Piperidine derivatives are also used in solid-phase peptide synthesis (SPPS) and many degradation reactions.Computed Properties of C19H22N2O6

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Lewis acids modulation in phosphine-sulfonate palladium catalyzed ethylene polymerization was written by Wang, Yong;Pang, Wenmin;Zhang, Shaojie;Tan, Chen. And the article was included in Applied Organometallic Chemistry in 2022.Quality Control of 1-(2-Bromophenyl)piperidine This article mentions the following:

Lewis acid modulation in metal-catalyzed olefin polymerization have received increasing attention. In this work, a series of N-containing phosphine-sulfonate palladium complexes were synthesized, characterized and used as stimuli-responsive type catalysts. The introduction of metal Lewis acids results in significantly improved catalytic performances of N-containing phosphine-sulfonate Pd catalysts in ethylene polymerization, resulting in improved catalytic activities and high-mol.-weight polyethylenes (Mn up to 369.2 kg mol^-1). It was indicated that the metal Lewis acids can form interactions with the N-containing moieties on the phosphine-sulfonate Pd catalysts. This provides a simple and versatile strategy to tune the properties of olefin polymerization catalysts. In the experiment, the researchers used many compounds, for example, 1-(2-Bromophenyl)piperidine (cas: 156808-79-6Quality Control of 1-(2-Bromophenyl)piperidine).

1-(2-Bromophenyl)piperidine (cas: 156808-79-6) belongs to piperidine derivatives. The piperidine structural motif is present in numerous natural alkaloids. These include piperine, which gives black pepper its spicy taste. Fluorinated piperidines are also the subject of continued interest in medicinal chemistry, for example in the synthesis of selective dipeptidyl peptidase II (DPP II) inhibitors. Piperidine derivatives are also used in solid-phase peptide synthesis (SPPS) and many degradation reactions.Quality Control of 1-(2-Bromophenyl)piperidine

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Ruthenium half-sandwich complexes as protein kinase inhibitors: An N-succinimidyl ester for rapid derivatizations of the cyclopentadienyl moiety was written by Bregman, Howard;Meggers, Eric. And the article was included in Organic Letters in 2006.Quality Control of 3-(2-Methylpiperidin-1-yl)propan-1-amine This article mentions the following:

Racemic and metal-chiral ruthenium half-sandwich pyrido[2,3-a]carbazole complexes I bearing carboxamide substituents in the cyclopentadienyl ring were prepared and tested for Pim-1 and GSK-3α protein kinase inhibition. Reaction of cyclopentadienylcarboxylic ester complex, [(MeCN)₂(CO)Ru(η⁵-C₅H₄CO₂CH₂CH₂TMS)] with 6-R-pyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dione (HL¹, R = TBS) afforded ruthenium half-sandwich [(L¹-N¹,N¹²)(CO)Ru(η⁵-C₅H₄CO₂CH₂CH₂TMS)] (10a), which after deprotection yields the carboxylic acid [(L-N¹,N¹²)(CO)Ru(η⁵-C₅H₄CO₂H)] [11; L = pyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dione anion]; esterification with N-hydroxysuccinimide gave the active ester, [(L-N¹,N¹²)(CO)Ru(η⁵-C₅H₄CO₂R¹)] (4, R¹ = 2,5-dioxopyrrolidin-1-yl). Amidation of 4 with a library of amines RNH₂ afforded the amides, [(L-N¹,N¹²)(CO)Ru(η⁵-C₅H₄CONHR)] (2, 3, 12–24). The obtained amides were tested for their pharmacol. properties, by inhibition assay of Pim-1 and GSK-3α protein kinases. The organometallic Pim-1 and GSK-3 inhibitors with improved potencies and kinase selectivities were identified. In the experiment, the researchers used many compounds, for example, 3-(2-Methylpiperidin-1-yl)propan-1-amine (cas: 25560-00-3Quality Control of 3-(2-Methylpiperidin-1-yl)propan-1-amine).

3-(2-Methylpiperidin-1-yl)propan-1-amine (cas: 25560-00-3) belongs to piperidine derivatives.Piperidine is a key saturated heterocyclic scaffold found in several of the top-selling small molecule pharmaceuticals and natural alkaloids, with a diverse range of biological activities. Fluorinated piperidines are also the subject of continued interest in medicinal chemistry, for example in the synthesis of selective dipeptidyl peptidase II (DPP II) inhibitors. Piperidine derivatives are also used in solid-phase peptide synthesis (SPPS) and many degradation reactions.Quality Control of 3-(2-Methylpiperidin-1-yl)propan-1-amine

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Recent drug approvals for newly diagnosed acute myeloid leukemia: gifts or a Trojan horse? was written by Estey, Elihu;Karp, Judith E;Emadi, Ashkan;Othus, Megan;Gale, Robert Peter. And the article was included in Leukemia in 2020.Related Products of 1095173-27-5 This article mentions the following:

Since 2017 the US Food and Drug Administration (FDA) has approved glasdegib, venetoclax, ivosidenib, midostaurin, CPX- 351, and gemtuzumab ozogamicin (GO) to treat persons with newly diagnosed acute myeloid leukemia. The European Medicines Agency (EMA) has done likewise for midostaurin, CPX-351, and GO. While increasing options for persons, particularly older ones, for whom current therapy is unsatisfactory, or simply not given, these approvals raise several concerns. Although the venetoclax and glasdegib approvals were for persons considered “unfit” for intensive induction, the criteria for fitness were not well defined (age ≥75 per se being insufficient) and are frequently subjective, making it likely that many subjects in the venetoclax and glasdegib registration trials were fit for intensive induction; for example, none had performance status 3-4. Fitness must be assessed together with the potential efficacy of a proposed therapy. We note the modest complete remission rates and durations in the venetoclax + hypomethylating agent trial. Although these formed the basis for FDA approval, it is unclear that better results might not have obtained with more intense induction, as several studies, with considerably longer-follow up, have suggested. Hence, we question the venetoclax (and glasdegib) approvals absent randomized comparisons with intense induction. Given the uncertain relation in older individuals between survival and complete remission (CR), much less responses less than CR, we are skeptical of the sole use of these responses in the ivosidenib and venetoclax approvals; we also question the use of survival, without event-free survival, in the glasdegib approval. Noting the midostaurin and CPX-351 approvals included populations not participating in the registration studies we suggest means to address this issue as well as those involving fitness, randomization, and endpoints. In the experiment, the researchers used many compounds, for example, 1-((2R,4R)-2-(1H-Benzo[d]imidazol-2-yl)-1-methylpiperidin-4-yl)-3-(4-cyanophenyl)urea (cas: 1095173-27-5Related Products of 1095173-27-5).

1-((2R,4R)-2-(1H-Benzo[d]imidazol-2-yl)-1-methylpiperidin-4-yl)-3-(4-cyanophenyl)urea (cas: 1095173-27-5) belongs to piperidine derivatives. The piperidine ring can be found not only in more than half of the currently known structures of alkaloids, but also in many natural or synthetic compounds with interesting biological activities. Industrially, piperidine is produced by the hydrogenation of pyridine, usually over a molybdenum disulfide catalyst. Pyridine can also be reduced to piperidine via a modified Birch reduction using sodium in ethanol.Related Products of 1095173-27-5

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem