Day: October 21, 2022

Electric Literature of C7H15NOIn 2016 ,《Postcombustion CO2 Capture Solvent Characterization Employing the Explicit Solvation Shell Model and Continuum Solvation Models》 appeared in Journal of Physical Chemistry B. The author of the article were Gupta, Mayuri; da Silva, Eirik F.; Svendsen, Hallvard F.. The article conveys some information:

Explicit and implicit solvation models to calculate amino acid ions solvation free energy and amino acids pKa (M. Gupta, et al., 2013) was extended to assess amines and alkanolamines. Solvation free energy and pKa of a dataset with 25 amines and alkanolamines were calculated using the explicit solvation shell (ESS) model from da Silva, et al. ( E.F. daSilva, et al., 2009) and the continuum solvation models (polarized continuum solvation model [PCM], SM8T, DivCon). An extensive overview involving gas-phase basicity and proton affinity, calculated using d. functional theory (B3LYP/6-311++G[d,p]) and composite methods (G3MP2B3, G3MP2, CBS-QB3, G4MP2), compared with corresponding exptl. results for amines and alkanolamines, is included in this work. This dataset was selected based on components potential as solvents for post-combustion CO2 capture (PCC) processes. Gaseous-phase thermochem. and pKa results from different models were analyzed against exptl. results to obtain error estimates for each theor. model. The ESS model to calculate the solvation free energy of ions using the ESS model in conjunction with composite gaseous-phase thermochem. methods gave reasonable accuracy for amine and alkanolamine pKa calculations and thereby constituting a method to validate pKa for new potential PCC solvents.2-(Piperidin-4-yl)ethanol(cas: 622-26-4Electric Literature of C7H15NO) was used in this study.

2-(Piperidin-4-yl)ethanol(cas: 622-26-4) have been used as an intermediate in the synthetic preparation of cellular-active allosteric inhibitors of FAKElectric Literature of C7H15NO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Electric Literature of C10H19NO3In 2021 ,《Discovery and Optimization of a Novel 2H-Pyrazolo[3,4-d]pyrimidine Derivative as a Potent Irreversible Pan-Fibroblast Growth Factor Receptor Inhibitor》 appeared in Journal of Medicinal Chemistry. The author of the article were Wei, Yujiao; Tang, Yanting; Zhou, Yunyun; Yang, Yuyu; Cui, Yetong; Wang, Xuan; Wang, Yubo; Liu, Yulin; Liu, Ning; Wang, Qianqian; Li, Chong; Ruan, Hao; Zhou, Honggang; Wei, Mingming; Yang, Guang; Yang, Cheng. The article conveys some information:

Fibroblast growth factor receptors (FGFRs) have become promising therapeutic targets in various types of cancers. In fact, several selective irreversible inhibitors capable of covalently reacting with the conserved cysteine of FGFRs are currently being evaluated in clin. trials. In this article, we optimized and discovered a novel lead compound 36 with remarkable inhibitory effects against FGFR (1-3), which is a derivative of 2H-pyrazolo[3,4-d]pyrimidine. The irreversible binding to FGFRs was characterized by LC-MS. This compound has been shown to exhibit significant anti-proliferation effects against NCI-H1581 and SNU-16 cancer cell lines both in vitro and in vivo. Compound 36 has also demonstrated a low toxicity profile and adequate pharmacokinetic properties and is currently under validation as a potential drug candidate.tert-Butyl 4-hydroxypiperidine-1-carboxylate(cas: 109384-19-2Electric Literature of C10H19NO3) was used in this study.

tert-Butyl 4-hydroxypiperidine-1-carboxylate(cas:109384-19-2) is a 4-hydroxypyridine with a boc protecting group used in the preparation of neurologically active agents and other pharmaceutical compounds.Electric Literature of C10H19NO3

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Application In Synthesis of tert-Butyl 4-aminopiperidine-1-carboxylateIn 2021 ,《Discovery of Novel Pyrimidine-Based Capsid Assembly Modulators as Potent Anti-HBV Agents》 appeared in Journal of Medicinal Chemistry. The author of the article were Kim, WooChan; Kang, Jung-Ah; Park, Minji; Jeong, Pyeong-Hwa; Kim, Yoon Jun; Cho, Yuri; Park, Sung-Gyoo; Kim, Yong-Chul. The article conveys some information:

In this study, novel potent pyrimidine derivatives I (R1 = SMe, SO2Me; R2 = [2-(pyridin-3-ylformamido)ethyl]aminyl, 3-Cl-4-FC6H3NH, 4-aminopiperidin-1-yl, etc.; R3 = [4-(morpholin-4-yl)phenyl]aminyl, C6H5NH, 3-Br-4-FC6H3NH, etc.) as core assembly modulators were synthesized and their antiviral effects were evaluated in in vitro and in vivo biol. experiments One of the synthesized derivatives, compound I (R1 = SO2Me; R2 = 4-aminopiperidin-1-yl; R3 = 3-Cl-4-F-C6H3NH) displayed potent inhibitory effects in the in vitro assays (52% inhibition in the protein-based assay at 100 nM and an IC50 value of 181 nM in the serum HBV DNA quantification assay). Moreover, treatment with compound I (R1 = SO2Me; R2 = 4-aminopiperidin-1-yl; R3 = 3-Cl-4-F-C6H3NH) for 5 wk significantly decreased serum levels of HBV DNA levels (3.35 log reduction) in a human liver-chimeric uPA/SCID mouse model, and these effects were significantly increased when I (R1 = SO2Me; R2 = 4-aminopiperidin-1-yl; R3 = 3-Cl-4-F-C6H3NH) was combined with tenofovir, a nucleotide analog inhibitor of reverse transcriptase used for the treatment of HBV infection. In addition to this study using tert-Butyl 4-aminopiperidine-1-carboxylate, there are many other studies that have used tert-Butyl 4-aminopiperidine-1-carboxylate(cas: 87120-72-7Application In Synthesis of tert-Butyl 4-aminopiperidine-1-carboxylate) was used in this study.

tert-Butyl 4-aminopiperidine-1-carboxylate(cas: 87120-72-7) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Application In Synthesis of tert-Butyl 4-aminopiperidine-1-carboxylate

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Synthetic Route of C7H15NOIn 2021 ,《An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-κB-Utilizing a Reversible Covalent Tethering Approach》 appeared in Journal of Medicinal Chemistry. The author of the article were Wolter, Madita; Valenti, Dario; Cossar, Peter J.; Hristeva, Stanimira; Levy, Laura M.; Genski, Thorsten; Hoffmann, Torsten; Brunsveld, Luc; Tzalis, Dimitrios; Ottmann, Christian. The article conveys some information:

Protein-protein modulation has emerged as a proven approach to drug discovery. While significant progress has been gained in developing protein-protein interaction (PPI) inhibitors, the orthogonal approach of PPI stabilization lacks established methodologies for drug design. Here, we report the systematic ”bottom-up” development of a reversible covalent PPI stabilizer. An imine bond was employed to anchor the stabilizer at the interface of the 14-3-3/p65 complex, leading to a mol. glue 24j (I) that elicited an 81-fold increase in complex stabilization. Utilizing protein crystallog. and biophys. assays, we deconvoluted how chem. properties of a stabilizer translate to structural changes in the ternary 14-3-3/p65/mol. glue complex. Furthermore, we explore how this leads to high cooperativity and increased stability of the complex. In the part of experimental materials, we found many familiar compounds, such as 2-(Piperidin-4-yl)ethanol(cas: 622-26-4Synthetic Route of C7H15NO)

2-(Piperidin-4-yl)ethanol(cas: 622-26-4) have been used as an intermediate in the synthetic preparation of cellular-active allosteric inhibitors of FAKSynthetic Route of C7H15NO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Category: piperidinesIn 2018 ,《Structural Modification of Natural Product Tanshinone I Leading to Discovery of Novel Nitrogen-Enriched Derivatives with Enhanced Anticancer Profile and Improved Drug-like Properties》 was published in Journal of Medicinal Chemistry. The article was written by Ding, Chunyong; Tian, Qianting; Li, Jie; Jiao, Mingkun; Song, Shanshan; Wang, Yingqing; Miao, Zehong; Zhang, Ao. The article contains the following contents:

The clin. development of natural product tanshinone I (1) for cancer therapy is hampered by its weak potency and poor drug-like properties. Herein, a more broad and systemic structural modification on 1 was conducted to generate four series of new tanshinone derivatives Among them, the lactam derivative 22h (4-(3-(diethylamino)propyl)-2-methylfuro[3,2-c]phenanthridine-5,10,11(4H)-trione) demonstrated the most potent antiproliferative activity against KB and drug-resistant KB/VCR cancer cells, which are approx. 13- to 49-fold more potent than 1. Compound 22h possesses significantly improved drug-like properties including aqueous solubility (15.7 mg/mL), metabolic stability of liver microsomes, and PK characters (T1/2 = 2.58 h; F = 21%) when compared to 1. Preliminary mechanism studies showed that 22h significantly induced apoptosis of HCT116 cells, at least partially, through activation of caspase-3/-7. More importantly, administration of 22h at 10 mg/kg significantly suppressed the tumor growth of HCT116 xenograft in vivo without significant loss of body weight of the tested nude mice. The experimental part of the paper was very detailed, including the reaction process of 2-(Piperidin-4-yl)ethanol(cas: 622-26-4Category: piperidines)

2-(Piperidin-4-yl)ethanol(cas: 622-26-4) have been used as an intermediate in the synthetic preparation of cellular-active allosteric inhibitors of FAKCategory: piperidines

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

《Beyond Basicity: Discovery of Nonbasic DENV-2 Protease Inhibitors with Potent Activity in Cell Culture》 was written by Kuehl, Nikos; Leuthold, Mila M.; Behnam, Mira A. M.; Klein, Christian D.. SDS of cas: 39546-32-2 And the article was included in Journal of Medicinal Chemistry on April 22 ,2021. The article conveys some information:

The viral serine protease NS2B-NS3 is one of the promising targets for drug discovery against dengue virus and other flaviviruses. The mol. recognition preferences of the protease favor basic, pos. charged moieties as substrates and inhibitors, which leads to pharmacokinetic liabilities and off-target interactions with host proteases such as thrombin. We here present the results of efforts that were aimed specifically at the discovery and development of noncharged, small-mol. inhibitors of the flaviviral proteases. A key factor in the discovery of these compounds was a cellular reporter gene assay for the dengue protease, the DENV2proHeLa system. Extensive structure-activity relationship explorations resulted in novel benzamide derivatives with submicromolar activities in viral replication assays (EC50 0.24μM), selectivity against off-target proteases, and negligible cytotoxicity. This structural class has increased drug-likeness compared to most of the previously published active-site-directed flaviviral protease inhibitors and includes promising candidates for further preclin. development. In the experiment, the researchers used many compounds, for example, Piperidine-4-carboxamide(cas: 39546-32-2SDS of cas: 39546-32-2)

Piperidine-4-carboxamide(cas: 39546-32-2) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.SDS of cas: 39546-32-2

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

《Converting coffee silverskin to value-added products by a slow pyrolysis-based biorefinery process》 was written by del Pozo, Cristina; Rego, Filipe; Yang, Yang; Puy, Neus; Bartroli, Jordi; Fabregas, Esteve; Bridgwater, Anthony V.. Synthetic Route of C9H17NO And the article was included in Fuel Processing Technology on April 30 ,2021. The article conveys some information:

This work aims to transform coffee silverskin (CSS), the only waste from the coffee roasting process, that worldwide amounts to about 76 million kg/yr, into value-added products within an integrated slow pyrolysis process. The study, performed at 280°C, 400°C and 500°C, determined the potential applications of the resulting fractions. Biochar has been studied as an adsorbent of organic pollutants in water, using methylene blue (MB) and methyl orange (MO), which are resp. cationic and anionic aromatic dyes, as model compounds, and with 400°C biochar giving the highest removal values, at 98% with MB and 40% with MO. Moreover, CSS biochar could be used to obtain renewable energy from its combustion, with 22.6-24.2 MJ/kg calorific values. The liquid fraction could be a potential source of caffeine, among phenolics, with 400°C aqueous phase presenting the highest concentration of caffeine (14.3 g/L). Concerning the gas fraction, it could be used to obtain heat for biomass drying before pyrolysis. Hence, use of the pyrolysis products as described would allow zero-waste to be achieved in the coffee roasting industry, thus promoting the green and circular economy and production of green chems. and materials in a biorefinery context. The experimental part of the paper was very detailed, including the reaction process of Triacetonamine(cas: 826-36-8Synthetic Route of C9H17NO)

Triacetonamine(cas: 826-36-8) is a member of piperidine. 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. Hence, continuous efforts have been made to develop convenient methods to prepare piperidine derivatives.Synthetic Route of C9H17NO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

COA of Formula: C9H17NOOn September 1, 2021 ,《Comparative indexes, fuel characterization and thermogravimetric- Fourier transform infrared spectrometer-mass spectrogram (TG-FTIR-MS) analysis of microalga Nannochloropsis Oceanica under oxidative and inert torrefaction》 was published in Energy (Oxford, United Kingdom). The article was written by Zhang, Congyu; Ho, Shih-Hsin; Chen, Wei-Hsin; Wang, Rupeng. The article contains the following contents:

The torrefaction performances of microalga Nannochloropsis Oceanica under oxidative and inert atmospheres are characterized and compared with each other based on several operating parameters. By conducting several comparative indexes, the results suggest that oxidative torrefaction is more capable of upgrading microalgae due to its relatively lower solid yield and energy input, as well as relatively higher enhancement factor and upgrading energy index. Compared to inert torrefaction, the indexes indicate that oxidative torrefaction at 250°C for 30 min has higher energy yield (1.02 times) and energy efficiency (2.2 times) but whereas lower energy input (0.4 times). With increasing torrefaction severity, the pyrolysis curve gradually becomes smooth and shift to a high-temperature zone. The peak temperatures of torrefied microalgae present an increasing trend, especially in the oxidative atm. After oxidative torrefaction, microalgal solid biofuel is upgraded as peat and lignite, from the viewpoint of elemental composition Furthermore, oxidative torrefaction is more suitable than inert torrefaction for producing bio-oil which mainly contains dianhydromannitol, neophytadiene, and palmitoleic acid. The TG-FTIR-MS results uncover the pyrolysis characteristics and reactivity of torrefied microalgae, and elucidate that oxidative torrefied microalgae is more reactive. In the part of experimental materials, we found many familiar compounds, such as Triacetonamine(cas: 826-36-8COA of Formula: C9H17NO)

Triacetonamine(cas: 826-36-8) is a member of piperidine. 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. Hence, continuous efforts have been made to develop convenient methods to prepare piperidine derivatives.COA of Formula: C9H17NO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Name: TriacetonamineOn November 10, 2021 ,《Defect-Engineered Graphene Films as Ozonation Catalysts for the Devastation of Sulfamethoxazole: Insights into the Active Sites and Oxidation Mechanism》 appeared in ACS Applied Materials & Interfaces. The author of the article were Wu, Wenjie; Bai, Liang; Song, Yenan; Su, Yuanting; Jiang, Kai; Sun, Haitao; Zhen, Guangyin; Shen, Yan; Yuan, Qinghong; Sun, Zhuo. The article conveys some information:

Graphene-based catalysts have been widely applied for catalytic ozonation. However, as it is difficult to obtain graphene with high structural precision, it is currently unfeasible to comprehend the relationships between the intrinsic structure of the layered carbon catalysts with its catalytic activities. Here, an advanced plasma-assisted etch strategy was used to fine tune the ozonation activity of monolayered graphene films by tailoring the defect types. Raman mapping indicated that the defects of the as-prepared monolayered graphene films were predominantly sp3, vacancy, and boundary-type defects, resp. The roles and contributions of these active defects in manipulating the oxidative potential of monolayered graphene films were revealed by quenching experiments, ESR results, and d. functional theory calculations The catalytic results showed that the monolayered graphene films with boundary-like defects exhibited the best catalytic performance toward the degradation of sulfamethoxazole. This work contributes new insights into the design of high-efficiency carbonaceous catalysts by structuring addnl. defective sites. In the part of experimental materials, we found many familiar compounds, such as Triacetonamine(cas: 826-36-8Name: Triacetonamine)

Triacetonamine(cas: 826-36-8) is a member of piperidine. Piperidine is ubiquitous structural motif widely occurred in diverse synthetically and naturally occurring bioactive molecules. Piperidines are an immensely important class of compounds medicinally: the piperidine ring is the most common heterocyclic subunit among FDA approved drugs.Name: Triacetonamine

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Chen, Ping; Blaney, Lee; Cagnetta, Giovanni; Huang, Jun; Wang, Bin; Wang, Yujue; Deng, Shubo; Yu, Gang published an article on February 5 ,2019. The article was titled 《Degradation of Ofloxacin by Perylene Diimide Supramolecular Nanofiber Sunlight-Driven Photocatalysis》, and you may find the article in Environmental Science & Technology.Electric Literature of C9H17NO The information in the text is summarized as follows:

This study describes a promising sunlight-driven photocatalyst for the treatment of ofloxacin and other fluoroquinolone antibiotics in water and wastewater. Perylene diimide (PDI) supramol. nanofibers, which absorb a broad spectrum of sunlight, were prepared via a facile acidification polymerization protocol. Under natural sunlight, the PDI photocatalysts achieved rapid treatment of fluoroquinolone antibiotics, including ciprofloxacin, enrofloxacin, norfloxacin, and ofloxacin. The fastest degradation was observed for ofloxacin, which had a half-life of 2.08 min for the investigated conditions. Various light sources emitting in the UV-vis spectrum were tested, and blue light was found to exhibit the fastest ofloxacin transformation kinetics due to the strong absorption by the PDI catalyst. Reactive species, namely, h+, 1O2, and O2•-, comprised the primary photocatalytic mechanisms for ofloxacin degradation Frontier electron d. calculations and mass spectrometry were used to verify the major degradation pathways of ofloxacin by the PDI-sunlight photocatalytic system and identify the transformation products of ofloxacin, resp. Degradation mainly occurred through demethylation at the piperazine ring, ketone formation at the morpholine moiety, and aldehyde reaction at the piperazinyl group. An overall mechanism was proposed for ofloxacin degradation in the PDI-sunlight photocatalytic system, and the effects of water quality constituents were examined to determine performance in real water/wastewater systems. Ultimately, the aggregate results from this study highlight the suitability of the PDI-sunlight photocatalytic system to treat antibiotics in real water and wastewater systems. In the part of experimental materials, we found many familiar compounds, such as Triacetonamine(cas: 826-36-8Electric Literature of C9H17NO)

Triacetonamine(cas: 826-36-8) is a member of piperidine. Piperidine is ubiquitous structural motif widely occurred in diverse synthetically and naturally occurring bioactive molecules. Piperidines are an immensely important class of compounds medicinally: the piperidine ring is the most common heterocyclic subunit among FDA approved drugs.Electric Literature of C9H17NO

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem