Day: November 11, 2022

Gajarska, Zuzana published the artcileIdentification of 20 polymer types by means of laser-induced breakdown spectroscopy (LIBS) and chemometrics, Product Details of C28H52N2O4, the main research area is polymer identification laser induced breakdown spectroscopy chemometric; Chemometrics; Identification; Laser-induced breakdown spectroscopy; Polymers.

Over the past few years, laser-induced breakdown spectroscopy (LIBS) has earned a lot of attention in the field of online polymer identification. Unlike the well-established near-IR spectroscopy (NIR), LIBS anal. is not limited by the sample thickness or color and therefore seems to be a promising candidate for this task. Nevertheless, the similar elemental composition of most polymers results in high similarity of their LIBS spectra, which makes their discrimination challenging. To address this problem, we developed a novel chemometric strategy based on a systematic optimization of two factors influencing the discrimination ability: the set of exptl. conditions (laser energy, gate delay, and atm.) employed for the LIBS anal. and the set of spectral variables used as a basis for the polymer discrimination. In the process, a novel concept of spectral descriptors was used to extract chem. relevant information from the polymer spectra, cluster purity based on the k-nearest neighbors (k-NN) was established as a suitable tool for monitoring the extent of cluster overlaps and an inhouse designed random forest (RDF) experiment combined with a cluster purity-governed forward selection algorithm was employed to identify spectral variables with the greatest relevance for polymer identification. Using this approach, it was possible to discriminate among 20 virgin polymer types, which is the highest number reported in the literature so far. Addnl., using the optimized exptl. conditions and data evaluation, robust discrimination performance could be achieved even with polymer samples containing carbon black or other common additives, which hints at an applicability of the developed approach to real-life samples.

Analytical and Bioanalytical Chemistry published new progress about Carbon black Role: MOA (Modifier or Additive Use), USES (Uses). 52829-07-9 belongs to class piperidines, name is Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate, and the molecular formula is C28H52N2O4, Product Details of C28H52N2O4.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Hou, Z. H. published the artcileEffects of radical scavenger on space charge accumulation of polypropylene/ultralow density polyethylene composites for high voltage direct current cable insulation, Related Products of piperidines, the main research area is polypropylene direct current cable insulation radical scavenger.

In this work, the space charge behavior and breakdown strength of polypropylene (PP)/ultralow d. polyethylene (ULDPE) blends and three different radical scavenger modified composites are performed at 30, 60 and 90°C. The trap distribution in the radical scavenger and the composites are investigated based on quantum chem. calculation and isothermal discharge current test. The results show that, 0.3 wt% addition of radical scavenger has little effect on the thermal and mech. property of the composites. The radical scavenger can introduce traps with different energy levels, which has greatly inhibited the space charge accumulation aggravated by the increasing temperature in the PP/ULDPE (PU) blends. Although the overall breakdown strength of the samples decreases with the rise of temperature, the performance of radical scavenger modified composites show the best, which suggests a great correlation with the traps they introduce, the mol. structure and chem. reaction of the additives themselves. The PP/ULDPE blends with 0.3 wt% C944 exhibit great potential for HVDC cable insulation.

IEEE Transactions on Dielectrics and Electrical Insulation published new progress about Attenuated-total-reflectance Fourier-transform IR spectroscopy. 52829-07-9 belongs to class piperidines, name is Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate, and the molecular formula is C28H52N2O4, Related Products of piperidines.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Zheng, Changsheng published the artcileA General Method for the Solid-Phase Synthesis of Unsymmetrical Tri- and Tetrasubstituted Ureas, Product Details of C21H21NO4, the main research area is urea unsym solid phase preparation.

A general method for the preparation of unsym. di-, tri-, and tetrasubstituted ureas on polymer supports is presented. Polymer-bound primary and secondary amines react with imidazolium salts (urea donors), which are generated from the reaction of N,N’-carbonyldiimidazole with primary and secondary amines followed by alkylation with MeI to give tri- and tetrasubstituted ureas in excellent yields (76-98%) and purities (80-99%).

Journal of Combinatorial Chemistry published new progress about Primary amines Role: RCT (Reactant), RACT (Reactant or Reagent). 158922-07-7 belongs to class piperidines, name is 1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid, and the molecular formula is C21H21NO4, Product Details of C21H21NO4.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Prime, Michael E. published the artcileDiscovery and Structure-Activity Relationship of Potent and Selective Covalent Inhibitors of Transglutaminase 2 for Huntington’s Disease, Recommanded Product: Benzyl (piperidin-4-ylmethyl)carbamate, the main research area is transglutaminase inhibitor preparation; Huntington disease human structure activity.

Tissue transglutaminase 2 (TG2) is a multifunctional protein primarily known for its calcium-dependent enzymic protein crosslinking activity via iso-peptide bond formation between glutamine and lysine residues. TG2 overexpression and activity have been found to be associated with Huntington’s disease (HD); specifically, TG2 is up-regulated in the brains of HD patients and in animal models of the disease. Interestingly, genetic deletion of TG2 in two different HD mouse models, R6/1 and R6/2, results in improved phenotypes including a reduction in neuronal death and prolonged survival. Starting with phenyl-acrylamide screening hit I, the SAR of this series leading to potent and selective TG2 inhibitors is described. The suitability of the compounds as in vitro tools to elucidate the biol. of TG2 was demonstrated through mode of inhibition studies, characterization of drug like properties, and inhibition profiles in a cell lysate assay.

Journal of Medicinal Chemistry published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 132431-09-5 belongs to class piperidines, name is Benzyl (piperidin-4-ylmethyl)carbamate, and the molecular formula is C14H20N2O2, Recommanded Product: Benzyl (piperidin-4-ylmethyl)carbamate.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Zhang, Jin published the artcileDesign, synthesis and biological evaluation of 1H-pyrazolo [3,4-d]pyrimidine derivatives as PAK1 inhibitors that trigger apoptosis, ER stress and anti-migration effect in MDA-MB-231 cells, Synthetic Route of 73874-95-0, the main research area is pyrazolopyrimidine preparation PAK1 inhibitor mol docking; Apoptosis; Breast cancer; High-throughput screening; Migration; PAK1 inhibitor.

P21-activated kinase 1 (PAK1) is associated with cell proliferation, survival and migration. Deregulation of PAK1 activity is involved in various human diseases, including cancer, inflammation, and neurol. disorders. Using a high-throughput virtual screening, we identified the 1H-pyrazolo [3,4-d]pyrimidine scaffold as a promising lead for targeting PAK1. A novel potent PAK1 inhibitor, (I), was discovered, which presented an IC50 value of 174 nM with a good selectivity. In addition, compound Icould inhibit PAK1-ERK signaling to suppress MDA-MB-231 cells proliferation with an IC50 value of 3.48μM for 48 h. Subsequently, compound Iwas documented to induce cell apoptosis. Interestingly, according to the RNASeq-based analyses, substantiated that compound Iinduced significant ER-Stress, suppressed migration via FOXO3 activation, JNK1/2, ERK1/2 and AKT signaling inhibition. Together, these results demonstrate that compound Iis a novel PAK1 inhibitor triggering apoptosis, ER stress and anti-migration effect in MDA-MB-231 cells, which may provide a candidate lead for the development of novel potent inhibitors of PAK1.

European Journal of Medicinal Chemistry published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 73874-95-0 belongs to class piperidines, name is tert-Butyl piperidin-4-ylcarbamate, and the molecular formula is C10H20N2O2, Synthetic Route of 73874-95-0.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Qian, Yuqing published the artcileDesign and synthesis of N-(1-(6-(substituted phenyl)-pyridazin-3-yl)-piperidine-3-yl)-amide derivatives as JMJD6 inhibitors, Quality Control of 73874-95-0, the main research area is pyridazinyl piperidinyl amide preparation antitumor inhibitor docking; Breast cancer, antitumor agent; JMJD6 inhibitor.

JMJD6 is a member of the JmjC domain-containing family and has been identified as a promising therapeutic target for treating estrogen-induced and triple-neg. breast cancer. To develop novel anti-breast cancer agents, a class of N-(1-(6-(substituted phenyl)-pyridazine-3-yl)-piperidine-3-yl)-amide derivatives I [R = 3-(pyridin-3-ylcarbonylamino), 4-(4-methoxyphenylcarbonylamino), 3-(4-methoxyphenylcarbonylamino), etc.; R1 = MeO, Cl, Et, NH2, NHBoc, NHMe] as potential JMJD6 inhibitors was synthesized. Among them, the anti-cancer compound I [R = 3-((4-methoxyphenyl)amidyl), etc.; R1 = NHMe] was an excellent JMJD6 binder (KD = 0.75 ± 0.08μM). It could upregulate the mRNA and protein levels of p53 and its downstream effectors p21 and PUMA by inhibiting JMJD6. Besides, compound I [R = 3-(4-methoxyphenylcarbonylamino); R1 = NHMe] displayed potent anti-proliferative activities against tested breast cancer cells by the induction of cell apoptosis and cell cycle arrest. Significantly, compound I [R = 3-(4-methoxyphenylcarbonylamino); R1 = NHMe] also promoted a remarkable reduction in tumor growth, with a TGI value of 66.6% (50 mg/kg, i.p.). Taken together, this findings suggest that compound I [R = 3-(4-methoxyphenylcarbonylamino); R1 = NHMe] is a potent JMJD6 inhibitor bearing a new scaffold acting as a promising drug candidate for the treatment of breast cancer.

Bioorganic Chemistry published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 73874-95-0 belongs to class piperidines, name is tert-Butyl piperidin-4-ylcarbamate, and the molecular formula is C10H20N2O2, Quality Control of 73874-95-0.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Kim, WooChan published the artcileDiscovery of Novel Pyrimidine-Based Capsid Assembly Modulators as Potent Anti-HBV Agents, Recommanded Product: tert-Butyl piperidin-4-ylcarbamate, the main research area is pyrimidine preparation antiviral activity SAR pharmacokinetic study mol docking; structure property relationship.

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.

Journal of Medicinal Chemistry published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 73874-95-0 belongs to class piperidines, name is tert-Butyl piperidin-4-ylcarbamate, and the molecular formula is C10H20N2O2, Recommanded Product: tert-Butyl piperidin-4-ylcarbamate.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Zhou, Xueying published the artcileHaloamines as Bifunctional Reagents for Oxidative Aminohalogenation of Maleimides, Application of tert-Butyl piperidin-4-ylcarbamate, the main research area is chloro amino pyrroledione green preparation; maleimide haloamine oxidative aminohalogenation copper catalyst.

An unprecedented copper-catalyzed oxidative aminohalogenation of electron-deficient maleimides with secondary amines and NXS (X = Cl, Br, I) was developed to form pyrrole-2,5-diones I [R1 = Me, R2 = n-pentyl, Bn, CH2(4-ClC6H4), etc.; R1R2 = CH2CH2CH2, CH2CH2OCH2CH2, CH2(CH2)3CH2, etc.] in which the N-X bonds generated in situ were used as difunctionalized reagents. The distinctive features of this multicomponent reaction included a simple green catalytic system, a spectral substrate range and the late-stage modification of drug mols. Most importantly, this umpolung radical cascade strategy exploits the in situ formation of N-iodoamines that enabled efficient alkene aminoiodination.

Organic Letters published new progress about Aliphatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 73874-95-0 belongs to class piperidines, name is tert-Butyl piperidin-4-ylcarbamate, and the molecular formula is C10H20N2O2, Application of tert-Butyl piperidin-4-ylcarbamate.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Tang, Kai published the artcileStructure-based design, synthesis and biological evaluation of aminopyrazines as highly potent, selective, and cellularly active allosteric SHP2 inhibitors, Synthetic Route of 73874-95-0, the main research area is aminopyrazine preparation cellularly active allosteric SHP2 inhibitor; Aminopyrazines; Dephosphorylase; SHP2 inhibitor.

Src homol.-2-containing protein tyrosine phosphatase 2 (SHP2) encoded by the proto-oncogene PTPN11 is the first identified non-receptor protein tyrosine phosphatase. SHP2 dysregulation contributes to the pathogenesis of different cancers, making SHP2 a promising therapeutic target for cancer therapy. In this article, authors report the structure-guided design based on the well-characterized SHP2 inhibitor SHP099, extensive structure-activity relationship studies (SARs) of aminopyrazines, biochem. characterization and cellular potency. These medicinal chem. efforts lead to the discovery of the lead compound TK-453 I, which potently inhibits SHP2 (SHP2WT IC50 = 0.023μM, ΔTm = 7.01°C) in a reversible and noncompetitive manner. Compound I exhibits high selectivity over SHP2PTP, SHP1 and PTP1B, and may bind at the “”tunnel”” allosteric site of SHP2 as SHP099. As the key pharmacophore, the aminopyrazine scaffold not only reorganizes the cationic-π stacking interaction with R111 via the novel hydrogen bond interaction between the S atom of thioether linker and T219, but also mediates a hydrogen bond with E250. In vitro studies indicate that I inhibits proliferation of HeLa, KYSE-70 and THP-1 cells moderately and induces apoptosis of Hela cells. Further mechanistic studies suggest that I can decrease the phosphorylation levels of AKT and Erk1/2 in HeLa and KYSE-70 cells.

European Journal of Medicinal Chemistry published new progress about Arylboronic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 73874-95-0 belongs to class piperidines, name is tert-Butyl piperidin-4-ylcarbamate, and the molecular formula is C10H20N2O2, Synthetic Route of 73874-95-0.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem

Chen, Yiding published the artcileDirect Copper-Catalyzed Three-Component Synthesis of Sulfonamides, SDS of cas: 132431-09-5, the main research area is aryl heteroaryl alkenyl sulfonamide preparation; copper catalyst coupling boronic acid amine DABSO; secondary cyclic acyclic amine aniline coupling boronic acid DABSO.

Sulfonamides such as N-(phenylsulfonyl)morpholine were prepared in one step by coupling of aryl-, heteroaryl-, and alkenylboronic acids such as phenylboronic acid with cyclic and acyclic alkyl secondary amines such as morpholine and primary anilines and the bis(sulfur dioxide) complex of DABCO (DABSO) in the presence of Cu(OTf)2 and 4,4′-dimethoxy-2,2′-bipyridine in DMSO. The method was used on gram scale and was used to prepare sulfonamides from drugs and drug fragments.

Journal of the American Chemical Society published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent) (primary). 132431-09-5 belongs to class piperidines, name is Benzyl (piperidin-4-ylmethyl)carbamate, and the molecular formula is C14H20N2O2, SDS of cas: 132431-09-5.

Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem