Tag: M.W=150-200

An article Application of quantitative structure-activity relationship analysis on an antibody and alternariol-like compounds interaction study WOS:000467857800002 published article about BROAD-SPECIFICITY; MONOCLONAL-ANTIBODY; ORGANOPHOSPHORUS PESTICIDES; MONOMETHYL ETHER; HAPTEN DESIGN; IMMUNOASSAY; RECOGNITION; SELECTIVITY; OFLOXACIN; ELISA in [Wang, Jianyi; Peng, Tao; Xie, Sanlei; Zheng, Pimiao; Yao, Kai; Wang, Zhanhui; Jiang, Haiyang] China Agr Univ, Coll Vet Med, Beijing Key Lab Detect Technol Anim Derived Food, Beijing Adv Innovat Ctr Food Nutr & Human Hlth, Beijing, Peoples R China; [Zhang, Xiya] Henan Agr Univ, Coll Food Sci & Technol, Zhengzhou, Henan, Peoples R China; [Ke, Yuebin] Shenzhen Ctr Dis Control & Prevent, Key Lab Mol Biol, Shenzhen, Peoples R China in 2019.0, Cited 33.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9. Recommanded Product: 2005-10-9

The antigen-antibody interaction determines the sensitivity and specificity of competitive immunoassay for hapten detection. In this paper, the specificity of a monoclonal antibody against alternariol-like compounds was evaluated through indirect competitive ELISA. The results showed that the antibody had cross-reactivity with 33 compounds with the binding affinity (expressed by IC50) ranging from 9.4 ng/mL to 12.0 mu g/mL. All the 33 compounds contained a common moiety and similar substituents. To understand how this common moiety and substituents affected the recognition ability of the antibody, a three-dimensional quantitative structure-activity relationship (3D-QSAR) between the antibody and the 33 alternariol-like compounds was constructed using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods. The q(2) values of the CoMFA and CoMSIA models were 0.785 and 0.782, respectively, and the r(2) values were 0.911 and 0.988, respectively, indicating that the models had good predictive ability. The results of 3D-QSAR showed that the most important factor affecting antibody recognition was the hydrogen bond mainly formed by the hydroxyl group of alternariol, followed by the hydrophobic force mainly formed by the methyl group. This study provides a reference for the design of new hapten and the mechanisms for antibody recognition.

Recommanded Product: 2005-10-9. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Wang, JY; Peng, T; Zhang, XY; Xie, SL; Zheng, PM; Yao, K; Ke, YB; Wang, ZH; Jiang, HY or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2019.0 INT J MOL SCI published article about FATTY LIVER-DISEASE; HEPATIC CYTOCHROME-P450 1A1; MESSENGER-RNA EXPRESSION; POTENTIAL ANKYRIN 1; ANDROGEN RECEPTOR; DANHONG INJECTION; OXIDATIVE STRESS; GENE-EXPRESSION; CYP 1A1; PLATELET-AGGREGATION in [Chen, Zhao; Cao, Yanfeng; Zhang, Yanling; Qiao, Yanjiang] Beijing Univ Chinese Med, Sch Chinese Mat Med, Beijing 102488, Peoples R China; [Chen, Zhao; Cao, Yanfeng; Zhang, Yanling; Qiao, Yanjiang] State Adm Tradit Chinese Med, Res Ctr TCM Informat Engn, Beijing 102488, Peoples R China in 2019.0, Cited 179.0. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4. Quality Control of Methyl 3-phenyl-2-propenoate

Pungent traditional Chinese medicines (TCMs) play a vital role in the clinical treatment of hepatobiliary disease, gastrointestinal diseases, cardiovascular diseases, diabetes, skin diseases and so on. Pungent TCMs have a vastness of pungent flavored (with pungent taste or smell) compounds. To elucidate the molecular mechanism of pungent flavored compounds in treating cardiovascular diseases (CVDs) and liver diseases, five pungent TCMs with the action of blood-activating and stasis-resolving (BASR) were selected. Here, an integrated systems pharmacology approach is presented for illustrating the molecular correlations between pungent flavored compounds and their holistic efficacy at the special organ level. First, we identified target proteins that are associated with pungent flavored compounds and found that these targets were functionally related to CVDs and liver diseases. Then, based on the phenotype that directly links human genes to the body parts they affect, we clustered target modules associated with pungent flavored compounds into liver and heart organs. We applied systems-based analysis to introduce a pungent flavored compound-target-pathway-organ network that clarifies mechanisms of pungent substances treating cardiovascular diseases and liver diseases by acting on the heart/liver organ. The systems pharmacology also suggests a novel systematic strategy for rational drug development from pungent TCMs in treating cardiovascular disease and associated liver diseases.

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Chen, Z; Cao, YF; Zhang, YL; Qiao, YJ or concate me.. Quality Control of Methyl 3-phenyl-2-propenoate

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article One class classification as a practical approach for accelerating pi-pi co-crystal discovery WOS:000617028900011 published article about CHARGE-TRANSFER; ORGANIC COCRYSTALS; MOLECULAR-COMPLEX; DESIGN; ANTHRACENE; PYRENE; WILL in [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Dept Chem, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Mat Innovat Factory, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Gaultois, Michael W.; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Leverhulme Res Ctr Funct Mat Design, Oxford St, Oxford, England; [Wood, Peter A.] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England; [Kurlin, Vitaliy] Univ Liverpool, Dept Comp Sci, Mat Innovat Factory, Liverpool L69 3BX, Merseyside, England in 2021.0, Cited 81.0. Recommanded Product: 2005-10-9. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9

The implementation of machine learning models has brought major changes in the decision-making process for materials design. One matter of concern for the data-driven approaches is the lack of negative data from unsuccessful synthetic attempts, which might generate inherently imbalanced datasets. We propose the application of the one-class classification methodology as an effective tool for tackling these limitations on the materials design problems. This is a concept of learning based only on a well-defined class without counter examples. An extensive study on the different one-class classification algorithms is performed until the most appropriate workflow is identified for guiding the discovery of emerging materials belonging to a relatively small class, that being the weakly bound polyaromatic hydrocarbon co-crystals. The two-step approach presented in this study first trains the model using all the known molecular combinations that form this class of co-crystals extracted from the Cambridge Structural Database (1722 molecular combinations), followed by scoring possible yet unknown pairs from the ZINC15 database (21 736 possible molecular combinations). Focusing on the highest-ranking pairs predicted to have higher probability of forming co-crystals, materials discovery can be accelerated by reducing the vast molecular space and directing the synthetic efforts of chemists. Further on, using interpretability techniques a more detailed understanding of the molecular properties causing co-crystallization is sought after. The applicability of the current methodology is demonstrated with the discovery of two novel co-crystals, namely pyrene-6H-benzo[c]chromen-6-one (1) and pyrene-9,10-dicyanoanthracene (2).

Recommanded Product: 2005-10-9. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Vriza, A; Canaj, AB; Vismara, R; Cook, LJK; Manning, TD; Gaultois, MW; Wood, PA; Kurlin, V; Berry, N; Dyer, MS; Rosseinsky, MJ or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Safety of Methyl 3-phenyl-2-propenoate. Recently I am researching about NF-KAPPA-B; ANTI-INFLAMMATION; CYTOTOXIC CONSTITUENTS; ANTIOXIDANT; EXPRESSION; SUBAMOLIDE; APOPTOSIS; PATHWAYS; LEAVES; CELLS, Saw an article supported by the Hubei Provincial Outstanding Young and Middle-Aged Science and Technology Innovation Team Project [T201813]; Young Scientist Innovation Team Project of Hubei Colleges [T201510]; Hubei Province Health and Family Planning Scientific Research Project [WJ2017Z023]. Published in HINDAWI LTD in LONDON ,Authors: Hao, XC; Sun, WG; Ke, CB; Wang, FQ; Xue, YB; Luo, ZW; Wang, XB; Zhang, JW; Zhang, YH. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

The study determined the chemical constituents and anti-inflammatory effects of leaf oil from Cinnamomum subavenium (CS-LO) that has been used in folk medicine to treat various symptoms including inflammation. The anti-inflammatory effects of the oil were evaluated by LPS-stimulated RAW264.7 cells and the Carr-induced hind mouse paw edema model, respectively. In vitro, nitric oxide (NO), prostaglandin E2 (PGE(2)), TNF-, IL-6, and IL-1 were significantly decreased by CS-LO, and the expression of nuclear factor-B (NF-B) protein was blocked as well. In in vivo, the malondialdehyde (MDA) and paw edema levels were decreased by CS-LO, and the same result came up on the NO and tumor necrosis factor (TNF-a) of serum at the 5th h after Carr injection. In addition, iNOS and COX-2 immunoreactive cells of the paw tissue were decreased significantly by CS-LO (200 mg/kg) in histological examination. The present findings indicated that CS-LO have anti-inflammatory properties, and the effects might be caused through inhibiting iNOS, COX-2, TNF-, IL-1, and IL-6 expression via affecting NF-B pathway, which will provide a power scientific basis for CS-LO to be used as the treatment of inflammatory diseases.

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Hao, XC; Sun, WG; Ke, CB; Wang, FQ; Xue, YB; Luo, ZW; Wang, XB; Zhang, JW; Zhang, YH or concate me.. Safety of Methyl 3-phenyl-2-propenoate

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pan, C; Wang, LM; Han, JW in [Pan, Cheng; Wang, Limin; Han, Jianwei] East China Univ Sci & Technol, Key Lab Adv Mat, Inst Fine Chem, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China; [Pan, Cheng; Wang, Limin; Han, Jianwei] East China Univ Sci & Technol, Feringa Nobel Prize Scientist Joint Res Ctr, Inst Fine Chem, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China; [Han, Jianwei] Chinese Acad Sci, Shanghai Hong Kong Joint Lab Chem Synth, Shanghai Inst Organ Chem, Shanghai 200032, Peoples R China published Palladium-Catalyzed Site-Selective Benzocylization of Aromatic Acids with o-Fluoro-Substituted Diaryliodonium Salts toward 3,4-Benzocoumarins in 2020.0, Cited 68.0. HPLC of Formula: C13H8O2. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9.

By using 2-fluoro-substituted diaryliodonium salts, a novel benzocylization has been accomplished for the synthesis of 3,4-benzocoumarin derivatives via a cascade of ortho-arylation and defluorination in the presence of palladium catalysts. The reaction exhibits a broad compatibility of readily available aromatic acids with an excellent level of site-selectivity. Mechanistic investigations revealed a unique reactivity of carboxylic acid directed arylation by followed nucleophilic substitution of aromatic fluoride in the present system.

About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Pan, C; Wang, LM; Han, JW or concate me.. HPLC of Formula: C13H8O2

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Jiang, XL; Zhang, JH; Zhao, DM; Li, YH in [Jiang, Xiaolin; Zhao, Dongmei] Shenyang Pharmaceut Univ, Minist Educ, Key Lab Struct Based Drug Design & Discovery, Shenyang 110016, Peoples R China; [Jiang, Xiaolin; Zhang, Jiahui; Li, Yuehui] Chinese Acad Sci, State Key Lab Oxo Synth & Select Oxidat, Lanzhou Inst Chem Phys, Suzhou Res Inst LICP, Lanzhou 730000, Peoples R China; [Zhang, Jiahui] Zhengzhou Univ, Coll Chem & Mol Engn, Zhengzhou 450001, Henan, Peoples R China published Aldehyde effect and ligand discovery in Ru-catalyzed dehydrogenative cross-coupling of alcohols to esters in 2019.0, Cited 25.0. Recommanded Product: 103-25-3. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3.

The presence of different aldehydes is found to have a significant influence on the catalytic performance when using PN(H)P type ligands for dehydrogenation of alcohols. Accordingly, hybrid multi-dentate ligands were discovered based on an oxygen-transfer alkylation of PNP ligands by aldehydes. The relevant Ru-PNN(PO) system provided the desired unsymmetrical esters in good yields via acceptorless dehydrogenation of alcohols. Hydrogen bonding interactions between the phosphine oxide moieties and alcohol substrates likely assisted the observed high chemoselectivity.

Recommanded Product: 103-25-3. About Methyl 3-phenylpropionate, If you have any questions, you can contact Jiang, XL; Zhang, JH; Zhao, DM; Li, YH or concate me.

Reference:
Patent; SANOFI; US2011/294788; (2011); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

I found the field of Chemistry very interesting. Saw the article Carbonyl-Olefin Metathesis Catalyzed by Molecular Iodine published in 2019.0. Recommanded Product: Methyl 3-phenyl-2-propenoate, Reprint Addresses Nguyen, TV (corresponding author), Univ New South Wales, Sch Chem, Sydney, NSW 2052, Australia.. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

The carbonyl-olefin metathesis reaction could facilitate rapid functional group interconversion and allow construction of complicated organic structures. Herein, we demonstrate that elemental iodine, a very simple catalyst, can efficiently promote this chemical transformation under mild reaction conditions. Our mechanistic studies revealed intriguing aspects of the activation mode via molecular iodine and the iodonium ion that could change the previously established perception of catalyst and substrate design for the carbonyl-olefin metathesis reaction.

Recommanded Product: Methyl 3-phenyl-2-propenoate. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Tran, UPN; Oss, G; Breugst, M; Detmar, E; Pace, DP; Liyanto, K; Nguyen, TV or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Category: esters-buliding-blocks. Recently I am researching about PLANT ESSENTIAL OILS; GARLIC ALLIUM-SATIVUM; COMPONENTS; CONSTITUENTS; INHIBITION; MECHANISM; QUANTIFICATION; COPPER, Saw an article supported by the National Research Foundation of Korea (NRF) – Korea government (MSIT) [NRF-2018R1D1A1B07047458]; Korea Institute of Planning and Evaluation for Technology in Food, Agriculture, Forestry and Fisheries (IPET) through the Agro-Bio Industry Technology Development Program – Ministry of Agriculture, Food, and Rural Affairs (MAFRA) [316030_3]. Published in ACADEMIC PRESS INC ELSEVIER SCIENCE in SAN DIEGO ,Authors: Lee, JE; Jung, M; Lee, SC; Huh, MJ; Seo, SM; Park, IK. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

The fumigant antibacterial activities of 50 plant essential oils belonging to 10 families were investigated against Agrobacterium tumefaciens. Among the test plant essential oils, Cinnamomum verum (cinnamon bark) essential oil showed the most potent fumigant antibacterial activity. When we investigated the antibacterial activities of compounds identified from cinnamon bark essential oil and 9 congeners of trans-cinnamaldehyde, lengths of inhibition zone of trans-cinnamaldehyde, salicylaldehyde and hydrocinnamaldehyde were 1.28, 1.73, and 1.24 cm at 0.625 mg/paper disc concentration, respectively. To determine the mode of action of trans-cinnamaldehyde and salicylaldehyde, intercellular reactive oxygen species (ROS) generation and cell membrane integrity were determined using a confocal laser scanning microscopy. Furthermore, we compared the up- and down-regulated gene expression of A. tumefaciens treated with trans-cinnamaldehyde and salicylaldehyde with that of untreated A. tumefaciens. With cutoffs of vertical bar log2FC vertical bar > 1 and FDR < 0.05, 29 and 43 down-regulated genes and 27 and 117 up-regulated genes were found in the treatment of trans-cinnamaldehyde and salicylaldehyde, respectively. Based on the ROS generation results, cell membrane integrity assay, and gene expression, we conclude that the antibacterial mode of action of trans-cinnamaldehyde and salicylaldehyde is ROS generation by the Fenton reaction caused by the down-regulation of an ATP synthesis-related gene cluster, corrupted iron ion homeostasis, and a corrupted ROS defense mechanism. The high concentration of ROS damaged the A. tumefaciens cell membrane, which caused cell death. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Lee, JE; Jung, M; Lee, SC; Huh, MJ; Seo, SM; Park, IK or concate me.. Category: esters-buliding-blocks

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Cerium(IV) Carboxylate Photocatalyst for Catalytic Radical Formation from Carboxylic Acids: Decarboxylative Oxygenation of Aliphatic Carboxylic Acids and Lactonization of Aromatic Carboxylic Acids WOS:000526393100029 published article about METAL CHARGE-TRANSFER; VISIBLE-LIGHT; PHOTOREDOX CATALYSIS; DEHYDROGENATIVE LACTONIZATION; EFFECTIVE ALKYLATION; GAMMA-LACTONES; PYRIDINE RING; COMPLEXES; FUNCTIONALIZATION; CYCLIZATION in [Shirase, Satoru; Tamaki, Sota; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi] Osaka Univ, Grad Sch Engn Sci, Dept Chem, Toyonaka, Osaka 5608531, Japan; [Hirosawa, Keishi; Satoh, Tetsuya] Osaka City Univ, Grad Sch Sci, Dept Chem, Osaka 5588585, Japan in 2020.0, Cited 56.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9. Category: esters-buliding-blocks

We found that in situ generated cerium(IV) carboxylate generated by mixing the precursor Ce((OBu)-Bu-t)(4) with the corresponding carboxylic acids served as efficient photocatalysts for the direct formation of carboxyl radicals from carboxylic acids under blue light-emitting diodes (blue LEDs) irradiation and air, resulting in catalytic decarboxylative oxygenation of aliphatic carboxylic acids to give C-O bond-forming products such as aldehydes and ketones. Control experiments revealed that hexanuclear Ce(IV) carboxylate clusters initially formed in the reaction mixture and the ligand-to-metal charge transfer nature of the Ce(IV) carboxylate clusters was responsible for the high catalytic performance to transform the carboxylate ligands to the carboxyl radical. In addition, the Ce(IV) carboxylate cluster catalyzed direct lactonization of 2-isopropylbenzoic acid to produce the corresponding peroxy lactone and gamma-lactone via intramolecular 1,5-hydrogen atom transfer (1,5-HAT).

Category: esters-buliding-blocks. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Shirase, S; Tamaki, S; Shinohara, K; Hirosawa, K; Tsurugi, H; Satoh, T; Mashima, K or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Synthesis of N ‘-propylhydrazide analogs of hydroxamic inhibitors of histone deacetylases (HDACs) and evaluation of their impact on activities of HDACs and replication of hepatitis C virus (HCV) WOS:000480235700065 published article about ACIDS in [Kozlov, Maxim, V; Konduktorov, Konstantin A.; Shcherbakova, Anastasia S.; Kochetkov, Sergey N.] Russian Acad Sci, Engelhardt Inst Mol Biol, Vavilova 32, Moscow 119991, Russia in 2019.0, Cited 23.0. Product Details of 103-25-3. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3

N’-Propylhydrazide analogs of hydroxamic inhibitors of histone deacetylases (HDACs), including tubastatin A, vorinostat and belinostat, were synthesized. All prepared compounds inhibited HDAC1/2/3, but not HDAC6, except for one hydrazide analog of HDAC4/5/7 inhibitor that was completely inactive. A novel 4-substituted derivative of N’-propylbenzohydrazide with extremely high anti-HCV activity was discovered.

Product Details of 103-25-3. About Methyl 3-phenylpropionate, If you have any questions, you can contact Kozlov, MV; Konduktorov, KA; Shcherbakova, AS; Kochetkov, SN or concate me.

Reference:
Patent; SANOFI; US2011/294788; (2011); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics