Tag: M.W=250-300

Huang, Kuan-Wei; Hsu, Kai-Cheng; Chu, Lee-Ya; Yang, Jinn-Moon; Yuan, Hanna S.; Hsiao, Yu-Yuan published the artcile< Identification of Inhibitors for the DEDDh Family of Exonucleases and a Unique Inhibition Mechanism by Crystal Structure Analysis of CRN-4 Bound with 2-Morpholin-4-ylethanesulfonate (MES)>, Electric Literature of 112-63-0, the main research area is DEDDh exonuclease inhibitor identification; RNase T inhibitor identification; crystal structure exonuclease CRN4 MES complex; Lassa virus NP exonuclease inhibitor identification.

The DEDDh family of 3’→5′-exonucleases plays essential roles in DNA and RNA metabolism in all kingdoms of life. Several viral and human DEDDh exonucleases can serve as antiviral drug targets due to their critical roles in virus replication. Here, using RNase T and CRN-4 exonuclease as the model systems, the authors identified potential inhibitors for DEDDh exonucleases. The authors further showed that 2 of the inhibitors (ATA and PV6R) indeed inhibited the exonuclease activity of the viral protein, NP exonuclease of Lassa fever virus in vitro. Moreover, the authors determined the crystal structure of CRN-4 in complex with MES that revealed a unique inhibition mechanism by inducing the general base His-179 to shift out of the active site. These results not only provided the structural basis for the inhibition mechanism but also suggested potential lead inhibitors for DEDDh exonucleases that may pave the way for designing nuclease inhibitors for biochem. and biomedical applications.

Journal of Medicinal Chemistry published new progress about Crystal growth. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Huang, Guang; Murillo Solano, Claribel; Melendez, Joel; Shaw, Justin; Collins, Jennifer; Banks, Robert; Arshadi, Arash Keshavarzi; Boonhok, Rachasak; Min, Hui; Miao, Jun; Chakrabarti, Debopam; Yuan, Yu published the artcile< Synthesis, Structure-Activity Relationship, and Antimalarial Efficacy of 6-Chloro-2-arylvinylquinolines>, COA of Formula: C19H34O2, the main research area is arylvinylquinoline chloro preparation antimalarial activity.

There is an urgent need to develop new efficacious antimalarials to address the emerging drug-resistant clin. cases. Our previous phenotypic screening identified styrylquinoline UCF501 as a promising antimalarial compound To optimize UCF501, we herein report a detailed structure-activity relationship study of 2-arylvinylquinolines, leading to the discovery of potent, low nanomolar antiplasmodial compounds against a Plasmodium falciparum CQ-resistant Dd2 strain, with excellent selectivity profiles (resistance index < 1 and selectivity index > 200). Several metabolically stable 2-arylvinylquinolines are identified as fast-acting agents that kill asexual blood-stage parasites at the trophozoite phase, and the most promising compound I also demonstrates transmission blocking potential. Addnl., the monophosphate salt of I exhibits excellent in vivo antimalarial efficacy in the murine model without noticeable toxicity. Thus, the 2-arylvinylquinolines represent a promising class of antimalarial drug leads.

Journal of Medicinal Chemistry published new progress about Antimalarials. 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

Brown, Herbert C.; Okamoto, Y.; Ham, Geo. published the artcile< Rates of solvolysis of the halophenyldimethylcarbinyl chlorides. The effect of halogen substituents upon the rates of electrophilic reactions>, Electric Literature of 112-63-0, the main research area is .

A series of Et halobenzoates, XC6H4CO2Et, was prepared from the free acids by standard esterification methods in approx. 90% yield (X, b.p./mm., nD20, and m.p. of free acid given): o-F, 85.5°/8, 1.4920, 128°; m-F, 84°/9.2, 1.4848, 124.5; p-F, 87.5°/11, 1.4860, 183.5°; p-Cl, 65°/1, 1.5239, 240.5°; o-Br, 135°/15, 1.5436, 150°; m-Br, 131°/17, 1.5428, 154°; p-Br, 129°/15, 1.5460, 255; m-I, 114°/2.1, 1.5830, 187°; p-I, 126.5°/4, 1.5877, 268°. Similarly were prepared the following esters XC6H4CO2Me (same data given): o-Cl, 99°/8.5, -, 141°; m-Cl, 106°/13, -, 154.5°; p-Cl, 112.5°/8, -, 240.5°; o-I, 103.5°/1, 1.6052, 163°. The appropriate ester (0.25 mole) in 150 cc. Et2O added to 0.55 mole MeMgI in 200 cc. Et2O, the mixture decomposed with saturated aqueous NH4Cl and ice, and the Et2O layer worked up gave 70-5% of the corresponding compounds XC6H4C(OH)Me2 (I) (X, b.p./mm., m.p., and nD20 given): o-F, 74.8°/8, 29.30°, -; m-F, 87°/7, -, 1.4995; p-F, 86°/8.2, 37.8, -; o-Cl, 79.2°/2.2, 23.7, 1.5416; m-Cl, 88.0°/2.2, -, 1.5370; p-Cl, 92.5°/3, 43.3, -; o-Br, 112°/5.2, -, 1.5634; m-Br, 104.5°/3.2, -, 1.5602; p-Br, -, 45.6°, -; o-I, 121°/5.5, -, 1.6017; m-I, -, 59-61°, -; p-I, -, 57-7.5°, -. The appropriate I (5 g.) treated with dry HCl until the weight became constant, the lower layer withdrawn, and the upper layer treated with CaCl2 and evacuated gave the corresponding chlorides, XC6H4CClMe2 (II), which were used without further purification. Aqueous 90% Me2CO adjusted with minor amounts of H2O or Me2CO until Me2PhCCl yielded a rate constant identical with that obtained previously (preceding abstract), 100 cc. solvent treated with approx. 1 cc. of the appropriate II, a 5-cc. zero-time sample removed after 10 min., added to 100 cc. Me2CO at 0°, titrated immediately with 0.0305N NaOH and methyl red as the indicator, and 6-7 addnl. samples withdrawn at the appropriate time intervals and titrated gave the desired rate data for the solvolysis of the II (X, rate constants k1 × 105 sec.-1 at 25°, 40, and 55°, relative ratio at 25°, Eact., ΔH++, and ΔS++ given): H, 12.4, -, – (0.600 at 0° and 36.1 at 35°), 1.00, 19.5, 18.8, -12.5; o-F, 0.622, 3.44, 15.8, 0.0502, 20.9, 20.3, -14.4; o-Cl, 0.0975, 0.625, 3.39, 0.00786, 23.0, 22.3, -11.1; o-Br, 0.0753, 0.517, 2.67, 0.00606, 23.1, 22.5, -11.1; o-I, 0.137, 0.839, 4.56, 0.0110, 22.7, 22.1, -11.4; m-F, 0.311, 1.65, 7.39, 0.0251, 20.5, 19.9, -17.0; m-Cl, 0.194, 1.13, 5.25, 0.0156, 21.3, 20.7, -15.1; m-Br, 0.178, 1.06, 5.44, 0.0144, 22.1, 21.5, -12.7; m-I, 0.289, 1.59, 7.22, 0.0233, 20.8, 20.2, -16.1; p-F, 26.5, -, – (1.32 at 0°, 8.44 at 15°), 2.14, 19.4, 18.8, -11.7; p-Cl, 3.78, 18.1, – (0.163 at 0°), 0.305, 20.0, 19.5, -13.6; p-Br, 2.58, -, – (7.83 at 35°, 21.2 at 45°), 0.208, 19.9, 19.2, -15.2; p-I, 3.03, -, – (9.00 at 35°, 24.0 at 45°), 0.244, 19.5, 18.8, -16.0. Within each of the 3 isomeric series, the observed order of reactivity is F > Cl > Br < I. The observed magnitudes of the rate constants, together with the observed reactivity orders, can be rationalized in terms of inductive effect, resonance, and steric inhibition of resonance. Journal of the American Chemical Society published new progress about Halogens. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Zhang, Zhenzhou; Tang, Jianqiong; Song, Jiawei; Xie, Mengshi; Liu, Ying; Dong, Zhaojie; Liu, Xiaoyan; Li, Xueting; Zhang, Miwen; Chen, Yihang; Shi, Hongyu; Zhong, Jiuchang published the artcile< Elabela alleviates ferroptosis, myocardial remodeling, fibrosis and heart dysfunction in hypertensive mice by modulating the IL-6/STAT3/GPX4 signaling>, Synthetic Route of 347174-05-4, the main research area is elabela gene transcription ferroptosis heart fibrosis dysfunction hypertension mouse; IL6 STAT3 GPX4 signaling elabela drug target; Cardiac microvascular endothelial cells; Elabela; Ferroptosis; Hypertension; Myocardial remodeling.

Hypertension-mediated pathol. cardiac remodeling often progresses to heart failure. Elabela, mainly expressed in the cardiac microvascular endothelial cells (CMVECs), functions as a new endogenous ligand for apelin receptor. However, the exact roles of elabela in hypertension remain largely unclear. In this study, 10-wk-old male C57BL/6 mice were randomly subjected to infusion of angiotensin (Ang) II (1.5 mg/kg/d) or saline for 2 wk. Ang II infusion led to marked increases in systolic blood pressure levels and reduction of elabela levels in hypertensive mice with augmented myocardial hypertrophy and fibrosis. Furthermore, administration of elabela or ferroptosis inhibitor ferrostatin-1 significantly prevented Ang II-mediated pathol. myocardial remodeling, dysfunction, and ultrastructural injury in hypertensive mice with downregulated expression of inflammation-, hypertrophy-, and fibrosis-related genes. Notably, elabela strikingly alleviated Ang II-induced upregulation of iron levels and lipid peroxidation in hypertensive mice by suppressing cardiac interleukin-6 (IL-6)/STAT3 signaling and activating the xCT/glutathione peroxidase (GPX4) signaling. In cultured CMVECs, exposure to Ang II resulted in a marked decrease in elabela levels and obvious increases in cellular ferroptosis, proliferation, inflammation, and superoxide production, which were rescued by elabela or ferrostatin-1 while were blocked by co-treatment with rhIL-6. Furthermore, knockdown of elabela by siRNA in CMVECs contributed to Ang II-mediated augmentations in cellular proliferation, migration, and oxidative stress in cultured cardiac fibroblasts and cardiomyocytes, resp. In conclusion, elabela antagonizes Ang II-mediated promotion of CMVECs ferroptosis, adverse myocardial remodeling, fibrosis and heart dysfunction through modulating the IL-6/STAT3/GPX4 signaling pathway. Targeting elabela-APJ axis serves as a novel strategy for hypertensive heart diseases.

Free Radical Biology & Medicine published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (ANP). 347174-05-4 belongs to class esters-buliding-blocks, and the molecular formula is C15H22N2O2, Synthetic Route of 347174-05-4.

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

Manjunatha, Ujjini H.; Vinayak, Sumiti; Zambriski, Jennifer A.; Chao, Alexander T.; Sy, Tracy; Noble, Christian G.; Bonamy, Ghislain M. C.; Kondreddi, Ravinder R.; Zou, Bin; Gedeck, Peter; Brooks, Carrie F.; Herbert, Gillian T.; Sateriale, Adam; Tandel, Jayesh; Noh, Susan; Lakshminarayana, Suresh B.; Lim, Siau H.; Goodman, Laura B.; Bodenreider, Christophe; Feng, Gu; Zhang, Lijun; Blasco, Francesca; Wagner, Juergen; Leong, F. Joel; Striepen, Boris; Diagana, Thierry T. published the artcile< A Cryptosporidium PI(4)K inhibitor is a drug candidate for cryptosporidiosis>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Cryptosporidium phosphatidylinositol kinase inhibitor preparation cryptosporidiosis diarrhea.

Diarrhoeal disease is responsible for 8.6% of global child mortality. Recent epidemiol. studies found the protozoan parasite Cryptosporidium to be a leading cause of paediatric diarrhoea, with particularly grave impact on infants and immunocompromised individuals. There is neither a vaccine nor an effective treatment. Here we establish a drug discovery process built on scalable phenotypic assays and mouse models that take advantage of transgenic parasites. Screening a library of compounds with anti-parasitic activity, we identify pyrazolopyridines as inhibitors of Cryptosporidium parvum and Cryptosporidium hominis. Oral treatment with the pyrazolopyridine KDU731 results in a potent reduction in intestinal infection of immunocompromised mice. Treatment also leads to rapid resolution of diarrhoea and dehydration in neonatal calves, a clin. model of cryptosporidiosis that closely resembles human infection. Our results suggest that the Cryptosporidium lipid kinase PI(4)K (phosphatidylinositol-4-OH kinase) is a target for pyrazolopyridines and that KDU731 warrants further preclin. evaluation as a drug candidate for the treatment of cryptosporidiosis.

Nature (London, United Kingdom) published new progress about Antidiarrheals. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Khan, Masarrat Majid; Sangshetti, Jaiprakash; Khan, Zeeshan; Shaikh, Asra Mumtaaz published the artcile< Application of QbD in method development of stavudine>, Application In Synthesis of 112-63-0, the main research area is stavudine antiviral agent high performance liquid chromatog.

The HPLC method for Stavudine has been developed using a quality by design concept. In the recent times due to regulatory requirement QbD (Quality by Design) has gained more importance. Chromatog. study has been achieved on a C18 column (3.9 x 300, 10μ particle size). The mobile phase consists of buffer (mono potassium phosphate): methanol (70:30). The factors like flow rate, injection volume and wavelength was found to be critical to maintain in method development of HPLC. Hence Box-Behnken optimization model was applied for the main, interaction and quadratic effects of these three factors has been studied on the selected response. Effects of these parameters were also studied on tailing factor (resolution). Results were analyzed using surface diagram. The Verification of the software generated result has been carried by using six replicates of the run. Lastly validation of the developed method was carried out by applying guidelines and parameters give by ICH (ICH Guidelines).

World Journal of Pharmaceutical Research published new progress about Antiviral 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

Huertas-Perez, Jose Fernando; Arroyo-Manzanares, Natalia; Hitzler, Dominik; Castro-Guerrero, Francisco German; Gamiz-Gracia, Laura; Garcia-Campana, Ana M. published the artcile< Simple determination of aflatoxins in rice by ultra-high performance liquid chromatography coupled to chemical post-column derivatization and fluorescence detection>, SDS of cas: 112-63-0, the main research area is aflatoxin contamination rice derivatization UHPLC fluorescence; Aflatoxins; Fluorescence detection; Liquid chromatography; Post-column derivatization; Rice.

A fast and simple anal. method was developed and characterized for the determination of aflatoxins (B1, B2, G1 and G2) in rice. The procedure is based on a simple solid-liquid extraction without further clean-up, and anal. by ultra-high performance liquid chromatog. coupled with fluorescence detection. Fluorescence emission of aflatoxins B1 and G1 was enhanced by post-column chem. derivatization using pyridinium bromide perbromide. The anal. method was satisfactorily characterized in white and brown rice. Under optimum conditions, external calibration in solvent could be used for quantification purposes and limits of quantification were below the maximum contents established by the European Union regulation for these contaminants/commodity group combination (0.07-0.14 μg/kg for white rice and 0.20-0.28 μg/kg for brown rice). Recovery studies carried out at three different concentration levels (0.5, 2 and 5 μg/kg) showed values in the range of 84.5-105.3%, and RSDs≤5%.

Food Chemistry published new progress about Extraction. 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, Xiaoning; Li, Yehui; Wang, Xiang; Wang, Haijun published the artcile< Zirconium-Gallic Acid Coordination Polymer: Catalytic Transfer Hydrogenation of Levulinic Acid and Its Esters into γ-Valerolactone>, Reference of 112-63-0, the main research area is zirconium catalyst preparation surface structure ethyl levulinate hydrogenation.

The conversion of Et levulinate (EL) to produce γ-valerolactone (GVL) through catalytic transfer hydrogenation (CTH) reaction plays a crucial role in the field of biomass catalytic conversion. In this work, a novel Zr-base catalyst with phenate group, phenolic hydroxyl and carboxyl in its structure was prepared by the co-precipitation of natural sources gallic acid and ZrCl4. It was found that Zr-GA has an excellent catalytic performance for this reaction and satisfactory GVL yield could be achieved. Besides, Zr-GA could be easily separated from the reaction system and reused at least six times without a significantly decrease in activity. Meanwhile, various characterizations had proved that Zr-GA is a porous material with acid-base bifunctional sites. The main reason for the high catalytic activity of the Zr-GA was that the synergetic effects of Lewis acid/base sites and Bronsted acid sites and appropriate textural properties. In addition, a possible reaction mechanism was proposed in conjunction with the poisoning experiment and previous reports. The heterogeneous catalyst Zr-GA prepared with gallic acid as a raw material has low cost and recyclability, and has great potential in green chem.

Catalysis Letters published new progress about Crystallinity. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Chen, Hao; Li, Chunlin; Hu, Haiyang; Zhang, Bin published the artcile< Activated TRPA1 plays a therapeutic role in TMZ resistance in glioblastoma by altering mitochondrial dynamics>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Glioblastoma; Mitochondrial dysfunction; Oxidative stress; TRPA1; Temozolomide.

Abstract: Background: Glioblastoma (GBM) represents nearly one-half of primary brain tumors, and the median survival of patients with GBM is only 14.6 mo. Surgery followed by radiation with concomitant temozolomide (TMZ) therapy is currently the standard of care. However, an increasing body of evidence suggests that GBM acquires resistance to TMZ, compromising the effect of the drug. Thus, further exploration into the mechanism underlying this resistance is urgently needed. Studies have demonstrated that TMZ resistance is associated with DNA damage, followed by altered reactive oxygen species (ROS) production in mitochondria. Studies have also showed that Ca2+-related transient receptor potential (TRP) channels participate in GBM cell proliferation and metastasis, but the detailed mechanism of their involvement remain to be studied. The present study demonstrates the role played by TRPA1 in TMZ resistance in GBM and elucidates the mechanism of resistance. Methods: U251 and SHG-44 cells were analyzed in vitro. A CCK-8 assay was performed to verify the effect of TMZ toxicity on GBM cells. Intracellular ROS levels were detected by DCFH-DA assay. A MitoSOX Red assay was performed to determine the mitochondrial ROS levels. Intracellular Ca2+ levels in the cells were determined with a Fluo-4 AM calcium assay kit. Intracellular GSH levels were determined with GSH and GSSG Assay Kit. MGMT protein, Mitochondrial fission- and fusion-, apoptosis- and motility-related protein expression was detected by western blot assay. A recombinant lentiviral vector was used to infect human U251 cells to overexpress shRNA and generate TRPA1+/+ and neg. control cells. All experiments were repeated. Results: In the U251 and SHG-44 cells, TMZ induced a small increase in the apoptosis rate and intracellular and mitochondrial ROS levels. The expression of antioxidant genes and antioxidants in these cells was also increased by TMZ. However, pretreatment with a TRPA1 agonist significantly decreased the level of antioxidant gene and antioxidants expression and enhanced intracellular and mitochondrial ROS levels. Also TMZ induced the level of MGMT protein increased, and pretreatment with a TRPA1 agonist decreased the MGMT expression. Moreover, Ca2+ influx, mitochondrial damage and cell apoptosis were promoted, and the balance between mitochondrial fission and fusion protein expression was disrupted in these GBM cells. Pretreatment with a TRPA1 inhibitor slightly enhanced the level of antioxidant gene expression and reduced the apoptosis rate. TRPA1 gene overexpression in the U251 cells was similar to that after inhibitor intervention, confirming the aforementioned exptl. results. Conclusion: The present study proved that activating TRPA1 in glioma cells, which leads to mitochondrial damage and dysfunction and ultimately to apoptosis, may decrease the TMZ resistance of GBM cells.

BMC Molecular and Cell Biology published new progress about 112-63-0. 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

Nguyen, Duc Hanh; Perez-Torrente, Jesus J.; Lomba, Laura; Victoria Jimenez, M.; Lahoz, Fernando J.; Oro, Luis A. published the artcile< Unsaturated iridium pyridinedicarboxylate pincer complexes with catalytic activity in borylation of arenes>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is crystal structure cyclooctenyl iridium pyridinedicarboxylate pincer complex preparation; mol structure cyclooctenyl iridium pyridinedicarboxylate pincer complex; iridium pyridinedicarboxylate pincer complex preparation arene borylation catalyst; cyclooctenyl iridium pyridinedicarboxylate pincer complex preparation pyridine exchange kinetics.

Unsaturated σ,π-cyclooctenyl and hydrido Ir(III) complexes bearing an unusual tridentate dianionic ONO pincer-type ligand have been straightforwardly obtained from 2,6-pyridinedicarboxylic acid and standard Ir(I) starting materials. These complexes efficiently catalyzed the arene C-H borylation under thermal conditions.

Dalton Transactions published new progress about Activation enthalpy. 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