Month: October 2022

Li, Guangdi; De Clercq, Erik published the artcile< A medicinal chemist who reshaped the antiviral drug industry: John Charles Martin (1951-2021)>, SDS of cas: 112-63-0, the main research area is review antiviral drug industry; antiviral industry; medicinal chemisty; obituary.

A review. John Charles Martin should be remembered as a visionary medicinal chemist who was involved in the coinvention, development, or management of many FDA-approved antiviral drugs such as ganciclovir, stavudine, didanosine, cidofovir, oseltamivir, adefovir dipivoxil, tenofovir disoproxil fumarate, tenofovir alafenamide, sofosbuvir, and remdesivir.

Medicinal Research Reviews published new progress about Antiviral agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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

Li, Guangdi; Yue, Tingting; Zhang, Pan; Gu, Weijie; Gao, Ling-Jie; Tan, Li published the artcile< Drug discovery of nucleos(t)ide antiviral agents: dedicated to Prof. Dr. Erik De Clercq on occasion of his 80th birthday>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is review HIV HBV HCV HSV nucleoside nucleotide analog antiviral; HBV; HCMV; HCV; HIV; HSV; VZV; antiviral therapy; nucleoside analogue; nucleotide analogue.

A review. Nucleoside and nucleotide analogs are essential antivirals in the treatment of infectious diseases such as human immunodeficiency virus (HIV), hepatitis B virus (HBV), hepatitis C virus (HCV), herpes simplex virus (HSV), varicella-zoster virus (VZV), and human cytomegalovirus (HCMV). To celebrate the 80th birthday of Prof. Dr. Erik De Clercq on 28 March 2021, this review provides an overview of his contributions to eight approved nucleos(t)ide drugs: (i) three adenosine nucleotide analogs, namely tenofovir disoproxil fumarate (Viread) and tenofovir alafenamide (Vemlidy) against HIV and HBV infections and adefovir dipivoxil (Hepsera) against HBV infections; (ii) two thymidine nucleoside analogs, namely brivudine (Zostex) against HSV-1 and VZV infections and stavudine (Zerit) against HIV infections; (iii) two guanosine analogs, namely valacyclovir (Valtrex, Zelitrex) against HSV and VZV and rabacfosadine (Tanovea-CA1) for the treatment of lymphoma in dogs; and (iv) one cytidine nucleotide analog, namely cidofovir (Vistide) for the treatment of HCMV retinitis in AIDS patients. Although adefovir dipivoxil, stavudine, and cidofovir are virtually discontinued for clin. use, tenofovir disoproxil fumarate and tenofovir alafenamide remain the most important antivirals against HIV and HBV infections worldwide. Overall, the broad-spectrum antiviral potential of nucleos(t)ide analogs supports their development to treat or prevent current and emerging infectious diseases worldwide.

Molecules published new progress about AIDS (disease). 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

Ma, Longhua; Meng, Qingran; Chen, Feng; Gao, Wenjie published the artcile< SAFE and SBSE combined with GC-MS and GC-O for characterization of flavor compounds in Zhizhonghe Wujiapi medicinal liquor>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Zhizhonghe Wujiapi medicinal liquor flavor compound GCMS SAFE SBSE; Wujiapi liquor; aromas; gas chromatography-mass spectrometry; gas chromatography-olfactometry; solvent-assisted flavor evaporation extraction; stir bar sorptive extraction.

Volatile compounds in Chinese Zhizhonghe Wujiapi (WJP) medicinal liquor were extracted by solvent-assisted flavor evaporation extraction (SAFE) and stir bar sorptive extraction (SBSE), resp., and identified by gas chromatog.-mass spectrometry. Results showed that a total of 123 volatile compounds (i.e., 108 by SAFE, 50 by SBSE, and 34 by both) including esters, alcs., acids, aldehydes, ketones, heterocycles, terpenes and terpenoids, alkenes, phenols, and other compounds were identified, and 67 of them were confirmed as aroma-active compounds by the application of the aroma extract dilution anal. coupled with gas chromatog.-olfactometry. After making a simulated reconstitute by mixing 41 characterized aroma-active compounds (odor activity values ≥1) based on their concentrations, the aroma profile of the reconstitute showed good similarity to that of the original WJP liquor. Omission test further corroborated 34 key aroma-active compounds in the WJP liquor. The study of WJP liquor is expected to provide some insights into the characterization of special volatile components in traditional Chinese medicine liquors for the purpose of quality improvement and aroma optimization.

Journal of Food Science published new progress about Alcoholic beverages (Zhizhonghe Wujiapi). 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

Wang, Shaohui; Jiang, Yao; Liu, Yabo; Liu, Qianhui; Sun, Hongwei; Mei, Mengjie; Liao, Xiaomei published the artcile< Ferroptosis promotes microtubule-associated protein tau aggregation via GSK-3β activation and proteasome inhibition>, Product Details of C15H22N2O2, the main research area is neuroblastoma cell ferroptosis microtubule tau aggregation GSK3b proteasome; Ferroptosis; Glycogen synthase kinase-3β; Tau; Ubiquitin proteasome system.

Ferroptosis is a form of regulated cell death resulting from iron accumulation and lipid peroxidation Iron dyshomeostasis and peroxidation damage of neurons in some particular brain regions are closely related to a wide range of neurodegenerative diseases known as “”tauopathies,”” in which intracellular aggregation of microtubule-associated protein tau is the common neuropathol. feature. However, the relationship between ferroptosis and tau aggregation is not well understood. The current study demonstrates that erastin-induced ferroptosis can promote tau hyperphosphorylation and aggregation in mouse neuroblastoma cells (N2a cells). Moreover, ferroptosis inhibitor ferrostatin-1 can alleviate tau aggregation effectively. In-depth mechanism research indicates that activated glycogen synthase kinase-3β (GSK-3β) is responsible for the abnormal hyperphosphorylation of tau. More importantly, proteasome inhibition can exacerbate tau degradation obstacle and accelerate tau aggregation in the process of ferroptosis. Our results indicate that ferroptosis can lead to abnormal aggregation of tau protein and might be a promising therapeutic target of tauopathies.

Molecular Neurobiology published new progress about Autophagy. 347174-05-4 belongs to class esters-buliding-blocks, and the molecular formula is C15H22N2O2, Product Details of C15H22N2O2.

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

Stiff, Cory; Graber, David R.; Thorarensen, Atli; Wakefield, Brian D.; Marotti, Keith R.; Melchior, Earline P.; Sweeney, Michael T.; Han, Fusen; Rohrer, Douglas C.; Zurenko, Gary E.; Romero, Donna L. published the artcile< Bacterial translation inhibitors, 1-acylindazol-3-ols as anthranilic acid mimics>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is acylindazolol preparation bacterial translation inhibitor.

The discovery and initial optimization of a novel anthranilic acid derived class of antibacterial agents has been described in a recent series of papers. This paper describes the discovery of 1-acylindazol-3-ols as a novel bioisostere of an anthranilic acid. The synthesis and structure-activity relationships of the indazol bioisosteres are described herein.

Bioorganic & Medicinal Chemistry Letters published new progress about Antibacterial agents. 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

Zhu, Fang; Wang, Yujie; Du, Qian; Ge, Wenxiang; Li, Zhanhui; Wang, Xu; Fu, Chunyan; Luo, Lusong; Tian, Sheng; Ma, Haikuo; Zheng, Jiyue; Zhang, Yi; Sun, Xiaotian; He, Sudan; Zhang, Xiaohu published the artcile< Structural optimization of aminopyrimidine-based CXCR4 antagonists>, Reference of 60705-25-1, the main research area is aminopyrimidine synthesis SAR CXCR4 CXCL12 chemotaxis hERG; Antagonist; CXCR4; Chemokine; GPCR; Structural optimization.

Structural optimization of aminopyrimidine-based CXCR4 antagonists is reported. The optimization is guided by mol. docking studies based on available CXCR4-small mol. crystal complex. The optimization identifies a number of compounds with improved receptor binding affinity and functional activity exemplified by compound 23 (inhibition of APC-conjugate clone 12G5 for CXCR4 binding in a cell based assay: IC50 = 8.8 nM; inhibition of CXCL12 induced cytosolic calcium increase: IC50 = 0.02 nM). In addition, compound 23 potently inhibits CXCR4/CXLC12 mediated chemotaxis in a matrigel invasion assay. Furthermore, compound 23 exhibits good physicochem. properties (MW 367, clogP 2.1, PSA 48, pKa 7.2) and in vitro safety profiles (marginal/moderate inhibition of CYP isoenzymes and hERG). These results represent significant improvement over the initial hit from scaffold hybridization and suggest that compound 23 can be used as a starting point to support lead optimization.

European Journal of Medicinal Chemistry published new progress about Cardiotoxicity. 60705-25-1 belongs to class esters-buliding-blocks, and the molecular formula is C7H12O5, Reference of 60705-25-1.

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

Chermahini, Alireza Najafi; Hosseinzadeh, Behzad; Salimi Beni, Alireza; Teimouri, Abbas published the artcile< Theoretical studies on the reactivity of mono-substituted imidazole ligands>, COA of Formula: C19H34O2, the main research area is Fukui reactivity monosubstituted imidazole ligand DFT B3LYP MP2.

The global and local quantum chem. reactivity descriptors of imidazole derivatives substituted at 2, 4, and 5 positions with different groups including electron-donating and electron-withdrawing substituents were calculated using the B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) methods. The substituents were selected to cover a wide range of electronic effects. Considering the calculated Fukui functions, both imidazole derivatives and their anions are suitable nucleophilic sites in the gas phase. For the most substituents the calculated Fukui function f-k values at the N-site are small in case of electron-releasing substituents indicating a preferred N-site for hard reaction. In contrast, large f-k values in case of electron-attracting groups indicate a preferred N-site for soft reaction. These two local descriptors predicted the reactivity of the electron-rich imidazole sequence to be 2-substituted imidazoles > 5-substituted imidazoles > 4-substituted imidazole where reactivity toward electrophilic attack at a pyridine nitrogen atom is enhanced by electron donor substituents elsewhere in the mol., due to resonance effect.

Structural Chemistry published new progress about Density functional theory, B3LYP. 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

Li, Suxiang; Shi, Lanlan; Wang, Chen; Yue, Fengxia; Lu, Fachuang published the artcile< Naphthalene Structures Derived from Lignins During Phenolation>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is naphthalene lignin phenolation; NMR spectroscopy; alkali lignin; condensation; structure elucidation; syringaresinol.

Phenolation is a commonly used method to improve the reactivity of lignin for various applications. In this study, resinol lignin models (syringaresinol and pinoresinol) and eucalyptus alkali lignin were treated under acid-catalyzed phenolation conditions to investigate the products derived from resinol (β-β) structures of lignins. The phenolation products were characterized by means of GC-MS and NMR spectroscopy following separation using flash chromatog. and thin-layer chromatog. A series of new naphthalene products were identified from phenolation of syringaresinol, and the corresponding guaiacyl analogs were also identified by GC-MS. The C1-Cα bond of these resinol compounds was cleaved to release syringol or guaiacol during phenolation. In addition, diphenylmethane products formed from phenol or phenol and syringol/guaiacol were found in the phenolation products. Comparatively, more naphthalene products were obtained by phenolation from syringaresinol than those obtained from pinoresinol. HSQC NMR characterization of the phenolated alkali lignin revealed that naphthalene structures formed in the phenolated lignin.

ChemSusChem published new progress about Black pulping liquors Role: PEP (Physical, Engineering or Chemical Process), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 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

Yang, Shuhua; Guan, Qian; Li, Zijie; Xu, Haiyan; Wang, Zhiwei; Chen, Gaofeng; Lin, Lu; Lei, Tingzhou published the artcile< Study on the influence of different catalysts on the preparation of ethyl levulinate from biomass liquefaction>, Application In Synthesis of 112-63-0, the main research area is ethyl levulinate biomass liquefaction heating.

The liquefaction experiments of straw biomass under heating and pressure were carried out with sulfuric acid and three ionic liquids as catalysts, 1-Butyl-3-methylimidazolium chloride ([BMIM] [Cl]), 1-Butyl-3-methylimidazolium hydrogen sulfate ([BMIM] [HSO4]), 1-methyl-3-(4-sulfobutyl) imidazole bisulfate ([HSO3-BMIM] [HSO4]), and anhydrous ethanol as solvent. The effects of catalyst type and dosage, reaction time and reaction temperature on liquefaction were investigated and optimized. The results showed that under the catalysis of sulfuric acid, the yield of Et levulinate was the highest; [HSO3-BMIM] [HSO4], the conversion of raw materials was the highest; when sulfuric acid was used as catalyst, the optimum reaction conditions were catalyst dosage 10%, reaction temperature 190 °C, reaction time 60 min, the yield of Et levulinate (EL) was 18.11%, and the conversion of raw materials was 75%. When [HSO3-BMIM] [HSO4] was used as catalyst, the optimum reaction conditions were as follows: catalyst dosage 26%, reaction temperature 200 °C, reaction time 60 min, the yield of EL was 10.2%, conversion of raw material 85.31%.

Journal of Biobased Materials and Bioenergy published new progress about Biomass. 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

Wang, Zhichao; Cheng, Huiyan; Qi, Lingli; Sui, Dayun published the artcile< Comprehensive analysis of long non-coding RNA using an associated competitive endogenous RNA network in Wilms tumor>, HPLC of Formula: 3290-92-4, the main research area is gene expression mir135a 3p mir125b 5p prognosis Wilms tumor; Wilms tumor; competitive endogenous rna; long non-coding rna; Therapeutically applicable research to Generate effective Treatments database; prognosis.

Wilms tumor (WT) is the most common malignant renal neoplasm in children; however, the underlying mol. mechanisms are not well understood. The expression profiles of lncRNAs, miRNAs and mRNAs in 120 WT and six normal tissues were obtained from the Therapeutically Applicable Research to Generate Effective Treatments database. A total of 442 lncRNAs, 214 miRNAs and 4,912 mRNAs were identified as differentially expressed in WT and were enriched in 472 Gene Ontol. terms (355 biol. processes, 89 cellular components and 29 mol. functions) and 18 Kyoto Encyclopedia of Genes and Genomes pathways. A lncRNA-miRNA-mRNA ceRNA network of WT consisting of with 32 lncRNAs, 14 miRNAs and 158 mRNAs was constructed, based on the bioinformatics anal. of the miR target prediction database and the miRNAcode, miRTarBase and TargetScan databases. Subsequently, three lncRNAs, three miRNAs and 17 mRNAs, which had a significant effect on the overall survival rate of patients with WT, were identified based on the survival anal. The three lncRNAs were also differentially expressed in the late and early stages of WT and were validated using the GSE66405 dataset obtained from the Gene Expression Omnibus database. In conclusion, the present study generated a specific lncRNA-related ceRNA network of WT, which may provide a novel perspective on the mol. mechanisms underlying the progression and prognosis of the disease.

Molecular Medicine Reports published new progress about Cell aging. 3290-92-4 belongs to class esters-buliding-blocks, and the molecular formula is C18H26O6, HPLC of Formula: 3290-92-4.

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