Month: October 2022

Adams, Nicholas D.; Adams, Jerry L.; Burgess, Joelle L.; Chaudhari, Amita M.; Copeland, Robert A.; Donatelli, Carla A.; Drewry, David H.; Fisher, Kelly E.; Hamajima, Toshihiro; Hardwicke, Mary Ann; Huffman, William F.; Koretke-Brown, Kristin K.; Lai, Zhihong V.; McDonald, Octerloney B.; Nakamura, Hiroko; Newlander, Ken A.; Oleykowski, Catherine A.; Parrish, Cynthia A.; Patrick, Denis R.; Plant, Ramona; Sarpong, Martha A.; Sasaki, Kosuke; Schmidt, Stanley J.; Silva, Domingos J.; Sutton, David; Tang, Jun; Thompson, Christine S.; Tummino, Peter J.; Wang, Jamin C.; Xiang, Hong; Yang, Jingsong; Dhanak, Dashyant published the artcile< Discovery of GSK1070916, a Potent and Selective Inhibitor of Aurora B/C Kinase>, Application In Synthesis of 112-63-0, the main research area is aurora kinase inhibitor GSK1070916 structure activity antitumor antiproliferative.

The Aurora kinases play critical roles in the regulation of mitosis and are frequently overexpressed or amplified in human tumors. Selective inhibitors may provide a new therapy for the treatment of tumors with Aurora kinase amplification. Herein we describe our lead optimization efforts within a 7-azaindole-based series culminating in the identification of GSK1070916 (17k). Key to the advancement of the series was the introduction of a 2-aryl group containing a basic amine onto the azaindole leading to significantly improved cellular activity. Compound 17k is a potent and selective ATP-competitive inhibitor of Aurora B and C with Ki* values of 0.38 ± 0.29 and 1.5 ± 0.4 nM, resp., and is >250-fold selective over Aurora A. Biochem. characterization revealed that compound 17k has an extremely slow dissociation half-life from Aurora B (>480 min), distinguishing it from clin. compounds 1 and 2. In vitro treatment of A549 human lung cancer cells with compound 17k results in a potent antiproliferative effect (EC50 = 7 nM). I.p. administration of 17k in mice bearing human tumor xenografts leads to inhibition of histone H3 phosphorylation at serine 10 in human colon cancer (Colo205) and tumor regression in human leukemia (HL-60). Compound 17k is being progressed to human clin. trials.

Journal of Medicinal Chemistry published new progress about Antiproliferative agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Feng, Qiang; Shen, Menglu; Zhu, Jiaming; Li, Jiang; Zhang, Jie; Guo, Shaoyun published the artcile< Realization of polyurethane/epoxy interpenetrating polymer networks with a broad high-damping temperature range using β-cyclodextrins as chain extenders>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is PU epoxy IPN damping material cyclodextrin chain expansion property.

Damping materials, especially high-damping (loss factor (tanδ) > 0.5 and above) materials, are widely applied for suppressing vibration and controlling noise in industrial field, but achieving a high tanδ over a wide temperature range is a challenging task. Herein, we report a novel polyurethane (PU)/epoxy (EP) interpenetrating polymer network (IPN) damping material by using 21-hydroxyl β-cyclodextrins (β-CDs) as PU chain extenders. At a high ratio of hydroxyls to isocyanate groups, every β-CD underwent a different degree of chain expansion. Then these β-CDs grafting different numbers of PU chains generated different-size hard segments, thus increasing the species of motion units and widening the damping temperature range. The unreacted hydroxyls on β-CDs provided a large quantity of hydrogen bonding protons, which could form hydrogen bonds with urethane groups, thus facilitating an increase in the tanδ value. Therefore, PU/EP IPNs with a broad high-damping temperature range were successfully prepared The results showed that PU/EP IPNs cured by β-CDs underwent a damping temperature range of 93.1 K (tanδ > 0.5), 82.4 K (tanδ > 0.7) and even 74.1 K (tanδ > 0.8), much better than the corresponding 32.9 K, 23.9 K and 20.5 K for traditional PU/EP IPNs cured by trihydroxyl trimethylolpropane (TMP).

Materials & Design published new progress about Epoxy resins Role: POF (Polymer in Formulation), PRP (Properties), USES (Uses). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Tibor Fekete, Janos; Gyorffy, Balazs published the artcile< A unified platform enabling biomarker ranking and validation for 1562 drugs using transcriptomic data of 1250 cancer cell lines>, Category: esters-buliding-blocks, the main research area is cancer biomarker ranking validation transcriptome; Chemotherapy; In vitro; Machine learning; Proliferation; RNAseq; Random forest; Receiver operator characteristics.

In vitro cell line models provide a valuable resource to investigate compounds useful in the systemic chemotherapy of cancer. However, the due to the dispersal of the data into several different databases, the utilization of these resources is limited. Here, our aim was to establish a platform enabling the validation of chemoresistance-associated genes and the ranking of available cell line models. We processed four independent databases, DepMap, GDSC1, GDSC2, and CTRP. The gene expression data was quantile normalized and HUGO gene names were assigned to have unambiguous identification of the genes. Resistance values were exported for all agents. The correlation between gene expression and therapy resistance is computed using ROC test. We combined four datasets with chemosensitivity data of 1562 agents and transcriptome-level gene expression of 1250 cancer cell lines. We have set up an online tool utilizing this database to correlate available cell line sensitivity data and treatment response in a uniform anal. pipeline. We employed the established pipeline to by rank genes related to resistance against afatinib and lapatinib, two inhibitors of the tyrosine-kinase domain of ERBB2. The computational tool is useful 1) to correlate gene expression with resistance, 2) to identify and rank resistant and sensitive cell lines, and 3) to rank resistance associated genes, cancer hallmarks, and gene ontol. pathways. The platform will be an invaluable support to speed up cancer research by validating gene-resistance correlations and by selecting the best cell line models for new experiments

Computational and Structural Biotechnology Journal published new progress about Acute lymphocytic leukemia. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Theoclitou, Maria-Elena; Aquila, Brian; Block, Michael H.; Brassil, Patrick J.; Castriotta, Lillian; Code, Erin; Collins, Michael P.; Davies, Audrey M.; Deegan, Tracy; Ezhuthachan, Jayachandran; Filla, Sandra; Freed, Ellen; Hu, Haiqing; Huszar, Dennis; Jayaraman, Muthusamy; Lawson, Deborah; Lewis, Paula M.; Nadella, Murali V. P.; Oza, Vibha; Padmanilayam, Maniyan; Pontz, Timothy; Ronco, Lucienne; Russell, Daniel; Whitston, David; Zheng, Xiaolan published the artcile< Discovery of (+)-N-(3-Aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide (AZD4877), a Kinesin Spindle Protein Inhibitor and Potential Anticancer Agent>, Category: esters-buliding-blocks, the main research area is thiazolopyrimidine thienopyrimidine aroylaminoalkyl aminopropyl kinesin spindle protein inhibitor anticancer; pyridopyrimidine pyrrolopyrimidine pyridopyrimidine aroylaminoalkyl aminopropyl kinesin spindle protein inhibitor.

Structure-activity relationship anal. identified (+)-N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide (AZD4877), from a series of novel kinesin spindle protein (KSP) inhibitors, as exhibiting both excellent biochem. potency and pharmaceutical properties suitable for clin. development. The selected compound arrested cells in mitosis leading to the formation of the monopolar spindle phenotype characteristic of KSP inhibition and induction of cellular death. A favorable pharmacokinetic profile and notable in vivo efficacy supported the selection of this compound as a clin. candidate for the treatment of cancer.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 252932-48-2 belongs to class esters-buliding-blocks, and the molecular formula is C7H10N2O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pai, K. Usha S.; Bodke, Yadav D.; Manandhar, Suman; Pai, K. Sreedhara Ranganath published the artcile< In silico-Based Virtual Screening and Molecular Docking Analysis of Phytochemicals obtained from Methanolic Extract of Cleome viscosa Linn. by GC-MS Method for its Anticancer Activity>, COA of Formula: C19H34O2, the main research area is Cleome viscosa phytochem virtual screening mol docking anticancer activity.

Cleome viscosa belonging to the family Capparidaceae, is a weed with ethano-botanical value found in India. In the present investigation, methanolic extract of Cleome viscosa was analyzed by gas chromatog.-mass spectrometry (GC-MS) to identify the important phytochem. constituents. The GC-MS anal. of methanol from whole plant of Cleome viscosa detected the presence of 78 phytochem. compounds Quant. phytochem. evaluation of the methanolic extract of Cleome viscosa was performed. These identified compounds were analyzed for their anticancer activity through in silico mol. docking studies. Computation based in silico docking studies were done using maestro interface. Three protein, poly (ADP-ribose) polymerase-1 (PARP-1), epidermal growth factor receptor (EGFR), human papilloma virus (HPV) specific to different cancers were selected for screening of these phytochems. Phytomols. with better activity and binding were shortlisted after XP mode of docking. The dock score, glide energy and 2D binding interactions of the top five phytochems. with three selected proteins have been discussed. The identified hit could be a potent inhibitor these proteins that further requires exptl. validation.

Asian Journal of Chemistry published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pinet, Sandra; Liautard, Virginie; Debiais, Megane; Pucheault, Mathieu published the artcile< Radical Metal-Free Borylation of Aryl Iodides>, Quality Control of 112-63-0, the main research area is radical borylation aryl iodide steric hindrance; boronic ester preparation.

A simple metal-free borylation of aryl iodides mediated by a fluoride sp 2-sp 3diboron adduct is described. The reaction conditions are compatible with various functional groups. Electronic effects of substituents do not affect the borylation while steric hindrance does. The reaction proceeds via a radical mechanism in which pyridine serves to stabilize the boryl radicals, generated in situ.

Synthesis published new progress about Aryl iodides Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Yang, Zeyu; Fu, Hengwei; Ye, Wenjie; Xie, Youyu; Liu, Qinghai; Wang, Hualei; Wei, Dongzhi published the artcile< Efficient asymmetric synthesis of chiral alcohols using high 2-propanol tolerance alcohol dehydrogenase SmADH2 via an environmentally friendly TBCR system>, Electric Literature of 94-02-0, the main research area is asym synthesis chiral alc propanol oxidation alc dehydrogenase; thermostatic bubble column reactor system alc dehydrogenase ketone reduction.

Alc. dehydrogenases (ADHs) together with the economical substrate-coupled cofactor regeneration system play a pivotal role in the asym. synthesis of chiral alcs.; however, severe challenges concerning the poor tolerance of enzymes to 2-propanol and the adverse effects of the byproduct, acetone, limit its applications, causing this strategy to lapse. Herein, a novel ADH gene smadh2 was identified from Stenotrophomonas maltophilia by traditional genome mining technol. The gene was cloned into Escherichia coli cells and then expressed to yield SmADH2. SmADH2 has a broad substrate spectrum and exhibits excellent tolerance and superb activity to 2-propanol even at 10.5 M (80%, volume/volume) concentration Moreover, a new thermostatic bubble column reactor (TBCR) system is successfully designed to alleviate the inhibition of the byproduct acetone by gas flow and continuously supplement 2-propanol. The organic waste can be simultaneously recovered for the purpose of green synthesis. In the sustainable system, structurally diverse chiral alcs. are synthesized at a high substrate loading (>150 g L-1) without adding external coenzymes. Among these, about 780 g L-1 (6 M) Et acetoacetate is completely converted into Et (R)-3-hydroxybutyrate in only 2.5 h with 99.9% ee and 7488 g L-1 d-1 space-time yield. Mol. dynamics simulation results shed light on the high catalytic activity toward the substrate. Therefore, the high 2-propanol tolerance SmADH2 with the TBCR system proves to be a potent biocatalytic strategy for the synthesis of chiral alcs. on an industrial scale.

Catalysis Science & Technology published new progress about Alcohols, chiral Role: BPN (Biosynthetic Preparation), BIOL (Biological Study), PREP (Preparation). 94-02-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H12O3, Electric Literature of 94-02-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Tilford, R. William; Mugavero, Sam J. III; Pellechia, Perry J.; Lavigne, John J. published the artcile< Tailoring microporosity in covalent organic frameworks>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is microporosity covalent organic framework microporous material pore size; boronate esters; covalent organic frameworks; polymeric materials; porous materials.

The microporosity of covalent organic frameworks (COFs) based on poly(boronate ester) formation is tailored using a facile synthetic approach that introduces alkyl functionalities into the pore and generates networks with pore diameters ranging from 1 to 2 nm. The added substituents significantly alter the host-guest properties of the resulting materials.

Advanced Materials (Weinheim, Germany) published new progress about Microporosity. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Vinogradov, Serguei; Batrakova, Elena; Li, Shu; Kabanov, Alexander published the artcile< Polyion Complex Micelles with Protein-Modified Corona for Receptor-Mediated Delivery of Oligonucleotides into Cells>, Computed Properties of 112-63-0, the main research area is oligonucleotide delivery micelle PEG polyethyleneimine transferrin.

Graft-copolymers, containing poly(ethylene glycol) (PEG) and polyethyleneimine (PEI) chains have been proposed as carriers for delivery of phosphorothioate oligonucleotides (SODNs). Complexes of such copolymers with SODN self-assemble into particles having a core of neutralized PEI and SODN and a corona of PEG. Transferrin mols. are attached to the PEG corona using avidin/biotin construct. For this purpose, biotin moieties are covalently linked to the free ends of the PEG chains in the PEG-g-PEI copolymer. SODNs are reacted with mixtures of biotinylated and biotin-free PEG-g-PEI copolymers of various compositions to adjust the number of the biotin moieties in the complex. Resulting complexes have small size (ca. 40 nm) and do not aggregate in aqueous solutions for at least several days. To attach transferrin, they are supplemented first with avidin and then with biotin-transferrin conjugate. This increases the effective diameter of the particles to ca. 75-103 nm, depending on the composition of the complex. Cellular accumulation and fluorescence microscopy studies characterize the effects of these modifications on interaction of fluorescently labeled SODNs with KBv cell monolayers. The data suggest significant enhancement of SODN association with cells resulting from modification of the complex with transferrin. SODN complimentary to the site 546-565 of human mdr 1-mRNA was used to inhibit expression of the drug efflux transporter, P-glycoprotein (P-gp), in multiple drug resistant (MDR) cancer cells (KBv, MCF-7 ADR). Accumulation of a P-gp specific probe, rhodamine 123, in the cell monolayers is used to characterize the effects on P-gp efflux system following the treatment of the cells with antisense SODN or its complexes. This study suggests that antisense SODN incorporated in the complexes retain the ability to inhibit P-gp efflux system, while complexes of the randomized control SODN are inactive. Therefore, the antisense SODN is released from the complex and interacts with its intracellular target upon interaction of the complexes with the cells. Furthermore, modification of the complexes with transferrin leads to a significant increase of the effects of the antisense SODN on the P-gp efflux system in the cells. Overall, this study suggests that polyion complex micelles with protein-modified corona are promising tools for the delivery of antisense SODN.

Bioconjugate Chemistry published new progress about Animal gene, MDR1 Role: BSU (Biological Study, Unclassified), PRP (Properties), BIOL (Biological Study) (targeting of). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Yang, Shuang; Ma, Qing-yun; Huang, Sheng-zhuo; Dai, Hao-fu; Guo, Zhi-kai; Yu, Zhi-fang; Zhao, You-xing published the artcile< Chemical constituents from Ganoderma philippii>, Related Products of 617-55-0, the main research area is chem constituent Ganoderma philippii Ganodermataceae.

The chem. investigation on Ganoderma philippii led to the isolation of sixteen compounds by silica gel and Sephadex LH-20 column chromatog. On the basis of spectroscopic data analyses, their structures were elucidated as 2, 5-dihydroxyacetophenone(1), Me gentisate(2), (S)-di-Me malate(3), muurola-4, 10(14)-dien-11β-ol(4), dihydroepicubenol(5), 5-hydroxymethylfuran carboxaldehyde(6), ergosta-7, 22E-dien-3β-ol(7), ergosta-7, 22E-dien-3-one(8), ergosta-7, 22E-diene-2β, 3α, 9α-triol(9), 6β-methoxyergo-sta-7, 22E-dien-3β, 5α-diol(10), ergosta-4, 6, 8(14), 22E-tetraen-3-one(11), ergosta-4, 6, 8-(14), 22E-tetraen-3β-ol(12), 5α, 8α-epidioxy-ergosta-6, 22E-dien-3β-ol(13), 7α-methoxy-5α, 6α-epoxyergosta-8-(14), 22E-dien-3β-ol(14), ergosta-8, 22E-diene-3β, 5α, 6β, 7α-tetraol(15), and ergosta-5, 23-dien-3β-ol, acetate(16). All the compounds were obtained from this fungus for the first time, and compounds 4 and 5 were isolated from the Ganoderma genus for the first time.

Zhongguo Zhongyao Zazhi published new progress about Ganoderma philippi. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Related Products of 617-55-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics