Tag: M.W=150-200

Quality Control of 2-Phenylbutanoic acid. Childers, W; Fan, R; Martinez, R; Colussi, DJ; Melenski, E; Liu, YX; Gordon, J; Abou-Gharbia, M; Jacobson, MA in [Childers, Wayne; Fan, Rong; Martinez, Rogelio; Colussi, Dennis J.; Melenski, Edward; Liu, Yuxiao; Gordon, John; Abou-Gharbia, Magid; Jacobson, Marlene A.] Temple Univ, Moulder Ctr Drug Discovery Res, Dept Pharmaceut Sci, Sch Pharm, 3307 N Broad St, Philadelphia, PA 19140 USA published Novel compounds that reverse the disease phenotype in Type 2 Gaucher disease patient-derived cells in 2020, Cited 23. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Gaucher disease (GD) results from inherited mutations in the lysosomal enzyme beta-glucocerobrosidase (GCase). Currently available treatment options for Type 1 GD are not efficacious for treating neuronopathic Type 2 and 3 GD due to their inability to cross the blood-brain barrier. In an effort to identify small molecules which could be optimized for CNS penetration we identified tamoxifen from a high throughput phenotypic screen on Type 2 GD patient-derived fibroblasts which reversed the disease phenotype. Structure activity studies around this scaffold led to novel molecules that displayed improved potency, efficacy and reduced estrogenic/antiestrogenic activity compared to the original hits. Here we present the design, synthesis and structure activity relationships that led to the lead molecule Compound 31.

Quality Control of 2-Phenylbutanoic acid. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Computed Properties of C10H12O2. Authors Duan, SG; Hong, K; Tang, M; Tang, J; Liu, LX; Gao, GF; Shen, ZJ; Zhang, XM; Yi, Y in PERGAMON-ELSEVIER SCIENCE LTD published article about in [Duan, Sheng-Guang; Hong, Kun; Tang, Ming; Tang, Jing; Liu, Lun-Xian; Zhang, Xi-Min; Yi, Yin] Guizhou Normal Univ, Sch Life Sci, Key Lab Natl Forestry & Grassland Adm Biodivers C, Key Lab Plant Physiol & Dev Regulat, Guiyang 550001, Guizhou, Peoples R China; [Gao, Gui-Feng] Chinese Acad Sci, Inst Soil Sci, State Key Lab Soil & Sustainable Agr, Nanjing 210008, Peoples R China; [Shen, Zhi-Jun] Xiamen Univ, Coll Environm & Ecol, Key Lab Subtrop Wetland Ecosyst Res, Minist Educ, Xiamen 361005, Fujian, Peoples R China in 2021, Cited 56. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Petal blight caused by fungi is among the most destructive diseases of Rhododendron, especially Rhododendron agastum. Nonetheless, the metabolite changes that occur during petal blight are unknown. We used untargeted gas chromatography time-of-flight mass spectrometry (GC-TOF-MS) and ultra-high performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry (UHPLC-QTOF-MS/MS) to compare the metabolite profiles of healthy and petal blight R. agastum flowers. Using GC-TOF-MS, 571 peaks were extracted, of which 189 metabolites were tentatively identified. On the other hand, 364 and 277 metabolites were tentatively identified in the positive and negative ionization modes of the UHPLC-QTOF-MS/MS, respectively. Principal component analysis (PCA) and orthogonal projections to latent structures-discriminant analysis (OPLS-DA) were able to clearly discriminate between healthy and petal blight flowers. Differentially abundant metabolites were primarily enriched in the biosynthesis of specialized metabolites. 17 accumulated specialized metabolites in petal blight flowers have been reported to have antifungal activity, and literature indicates that 9 of them are unique to plants. 3 metabolites (chlorogenic acid, medicarpin, and apigenin) are reportedly involved in resistance to blight caused by pathogens. We therefore speculate that the accumulation of chlorogenic acid, medicarpin, and apigenin may be involved in the resistance to petal blight. Our results suggest that these metabolites may be used as candidate biocontrol agents for the control fungal petal blight in Rhododendron.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Computed Properties of C10H12O2. Gholap, A; Bag, S; Pradhan, S; Kapdi, AR; Maiti, D in [Gholap, Aniket; Bag, Sukdev; Pradhan, Sukumar; Kapdi, Anant R.; Maiti, Debabrata] Inst Chem Technol, Dept Chem, Mumbai 400019, Maharashtra, India published Diverse meta-C-H Functionalization of Amides in 2020, Cited 64. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Overriding the preference for favorable proximal metalation by ortho-directing amide group, a pyrimidine-based directing group (DG) has been demonstrated for diverse remote meta-C-H functionalizations of arenes including allylation, cyanation, alkylation, alkynylation, and deuteration. The scope of palladium-catalyzed meta-C-H functionalizations has been presented with various pharmaceutically relevant phenylacetic acid, hydrocinnamic acid, and naphthylacetic acid derivatives.

Computed Properties of C10H12O2. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

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Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Mechanistic Insights into Copper-Catalyzed Carboxylations WOS:000535187200010 published article about DENSITY-FUNCTIONAL THEORY; CO2 INSERTION; CARBON; ALKENES; DFT; HYDROCARBOXYLATION; THERMOCHEMISTRY in [Obst, Marc F.; Hopmann, Kathrin H.] UiT Arctic Univ Norway, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-9037 Tromso, Norway; [Gevorgyan, Ashot; Bayer, Annette] UiT Arctic Univ Norway, Dept Chem, N-9037 Tromso, Norway in 2020, Cited 38. Name: 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

The copper-NHC-catalyzed carboxylation of organo-boranes with CO2 was investigated using computational and experimental methods. The DFT and DLPNO-CCSD(T) results indicate that nonbenzylic substrates are converted via an inner-sphere carboxylation of an organocopper intermediate, whereas benzylic substrates may simultaneously proceed along both inner- and outer-sphere CO2 insertion pathways. Interestingly, the computations predict that two conceptually different carboxylation mechanisms are possible for benzylic organoboranes, one being copper-catalyzed and one being mediated by the reaction additive CsF. Our experimental evaluation of the computed reactions confirms that carboxylation of nonbenzylic substrates requires copper catalysis, whereas benzylic substrates can be carboxylated with and without copper.

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Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Category: Benzisoxazole. Raajaraman, BR; Sheela, NR; Muthu, S in [Raajaraman, B. R.; Sheela, N. R.] Sri Venkateswara Coll Engn, Dept Appl Phys, Sriperumbudur 602117, Tamil Nadu, India; [Muthu, S.] Arignar Anna Govt Arts Coll, Dept Phys, Cheyyar 604407, Tamil Nadu, India published Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies in 2019, Cited 39. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

2-Phenylbutanoic acid (2PBA) and its functional derivatives 2-amino-2-Phynylbutanoic acid (2APBA), 2-hydroxy-2-Phenylbutanoic acid (2HPBA) and 2-methyl-2-phenylbutanoic acid (2MPBA) are analyzed by density functional theory (DFT) calculations at B3LYP level with basis set 6-311++G(d,p). Experimental studies like FT-IR, FT-Raman, and UV-Visible spectra are carried out and compared with the theoretical molecular geometry and vibrational frequencies. To study donor and acceptor interactions natural bond orbital (NBO) analysis were performed. The observed UV-Vis spectrum compared with the time-dependent TD-DFT analysis gives band gap energies, oscillator strength, and the absorption wavelengths of different molecules. The hyperpolarizability analysis shows that the nonlinear optical (NLO) properties of the 2PBA, 2APBA, 2HPBA and 2MPBA compounds. The visual bio-active areas of the molecule are estimated by Molecular electrostatic potential (MEP). The important thermodynamic properties like heat capacity, entropy, and enthalpy of the 2PBA, 2APBA, 2HPBA, and 2MPBA were calculated at different temperatures. Molecular docking methods were employed with 2PBA, 2APBA, 2HPBA and 2MPBA molecules with the same set of receptors (proteins) to find the best of four molecules for drug identification. (C) 2019 Elsevier B.V. All rights reserved.

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Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

HPLC of Formula: C10H12O2. I found the field of Chemistry very interesting. Saw the article Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters published in 2019, Reprint Addresses Wu, Q (corresponding author), Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China.; Huang, ML (corresponding author), Queens Univ, Sch Chem & Chem Engn, David Keir Bldg,Stranmillis Rd, Belfast BT9 5AG, Antrim, North Ireland.; Zhou, JH (corresponding author), Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Bioorgan & Nat Prod Chem, Shanghai 200032, Peoples R China.; Reetz, MT (corresponding author), Max Planck Inst Kohlenforsch, Kaiser Wilhelm Pl 1, D-45470 Mulheim, Germany.; Reetz, MT (corresponding author), Philipps Univ, Dept Chem, Hans Meerwein Str 4, D-35032 Marburg, Germany.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid.

Enzymatic stereodivergent synthesis to access all possible product stereoisomers bearing multiple stereocenters is relatively undeveloped, although enzymes are being increasingly used in both academic and industrial areas. When two stereocenters and thus four stereoisomeric products are involved, obtaining stereodivergent enzyme mutants for individually accessing all four stereoisomers would be ideal. Although significant success has been achieved in directed evolution of enzymes in general, stereodivergent engineering of one enzyme into four highly stereocomplementary variants for obtaining the full complement of stereoisomers bearing multiple stereocenters remains a challenge. Using Candida antarctica lipase B (CALB) as a model, we report the protein engineering of this enzyme into four highly stereocomplementary variants needed for obtaining four stereoisomers in transesterification reactions between racemic acids and racemic alcohols in organic solvents. By generating and screening less than 25 variants of each isomer, we achieved >90% selectivity for all of the four possible stereoisomers in the model reaction. This difficult feat was accomplished by developing a strategy dubbed focused rational iterative site-specific mutagenesis (FRISM) at sites lining the enzyme’s binding pocket. The accumulation of single mutations by iterative site-specific mutagenesis using a restricted set of rationally chosen amino acids allows the formation of ultrasmall mutant libraries requiring minimal screening for stereoselectivity. The crystal structure of all stereodivergent CALB variants, flanked by MD simulations, uncovered the source of selectivity.

Welcome to talk about 90-27-7, If you have any questions, you can contact Xu, J; Cen, YX; Singh, W; Fan, JJ; Wu, L; Lin, XF; Zhou, JH; Huang, ML; Reetz, MT; Wu, Q or send Email.. HPLC of Formula: C10H12O2

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Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Recently I am researching about B(C6F5)(3)-CATALYZED HYDROSILYLATION; CARBONYL; MECHANISM; SILANES, Saw an article supported by the Berlin Graduate School of Natural Sciences and Engineering; Projekt DEAL. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Roy, A; Oestreich, M. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid. Recommanded Product: 2-Phenylbutanoic acid

Little-explored hydrosilylation of ketenes promoted by main-group catalysts is reported. The boron Lewis acid tris(pentafluorophenyl)borane accelerates the slow uncatalyzed reaction of ketenes and hydrosilanes, thereby providing a convenient access to the new class of beta,beta-di- and beta-monoaryl-substituted aldehyde-derived silyl enol ethers. Yields are moderate to high, and Z configuration is preferred. The corresponding silyl bis-enol ethers are also available when using dihydrosilanes. The related trityl-cation-initiated hydrosilylation involving self-regeneration of silylium ions is far less effective.

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Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

In 2020 INORG CHIM ACTA published article about TRANSITION-METAL-COMPLEXES; ALKALINE-PHOSPHATASE; CRYSTAL-STRUCTURES; DNA-BINDING; SPECTROSCOPIC CHARACTERIZATION; INDOLE-2-CARBOXYLIC ACID; ENZYME-INHIBITION; ZN(II); LIGAND; DRUG in [Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Ali, Saqib] Quaid I Azam Univ, Dept Chem, Islamabad 45320, Pakistan; [Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar] CECOS Univ, Dept Biotechnol, Inst Integrat Biosci, Peshawar, Pakistan; [Bibi, Memoona; Yousuf, Sammer] Univ Karachi, HEJ Res Inst Chem, Int Ctr Chem & Biol Sci, Karachi 75270, Pakistan in 2020, Cited 77. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Safety of 2-Phenylbutanoic acid

A series of five new zinc(II) complexes of 2-phenylbutyric acid comprising of one homoleptic (1) and four heteroleptic (2-5) complexes were synthesized under open beaker conditions. The behavior of the complexes in the solid and solution state was explored through FT-IR and NMR (H-1 and C-13) spectroscopy, respectively. Crystallographic data have revealed that complexes 2 and 3 crystallized in monoclinic and triclinic crystal system, respectively, with a distorted octahedral geometry, whereas complex 4 crystallized in monoclinic crystal system with a pentagonal geometry around the zinc(II) atom. All the complexes have been screened for enzyme (alkaline phosphatase) inhibition, in vitro hemolysis and antileishmanial activity, DNA and cetyl-trimethylammonium bromide (CTAB) interaction. The increase in the concentration of complexes 1, 2, 4 and 5 remarkably decreases the activity of enzyme alkaline phosphatase, whereas complex 3 was found inactive. The behavior of the complexes as a potent drug is clear from the results of hemolysis and antileishmanial activity against promastigote. The UV-Vis spectroscopic data of complexes-DNA interactions suggested a surface binding mode whereas the interaction of CTAB with complexes, studied through conductometry, confirmed strong in-teracting ability of complexes with CTAB.

Safety of 2-Phenylbutanoic acid. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

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Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

In 2019 PHYTOCHEMISTRY published article about QUANTITATIVE TRAIT LOCI; PLANT METABOLOMICS; MASS SPECTROMETRY; ARTHRINIUM-PHAEOSPERMUM; SALT STRESS; RICE PLANTS; ARABIDOPSIS; METABOLISM; PURIFICATION; MECHANISMS in [Li, Shujiang; He, Qianqian; Peng, Qi; Fang, Xinmei; Zhu, Tianhui; Qiao, Tianmin; Han, Shan] Sichuan Agr Univ, Coll Forestry, 211 Huimin Rd, Chengdu 611130, Sichuan, Peoples R China in 2019, Cited 70. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Application In Synthesis of 2-Phenylbutanoic acid

Bambusa pervariabilis x Dendrocalamopsis grandis blight, caused by Arthrinium phaeospermum, is one of the most common and serious diseases in bamboo and occurs in the newly born twigs. Bamboo has suffered large dead areas, including more than 3000 hm(2), which greatly threatens the process of returning farmlands to forests and the construction of ecological barriers. To identify differential metabolites and metabolic pathways associated with B. pervariabilis x D. grandis to A. phaeospermum, ultra-performance liquid chromatography (UPLC) and quadrupole-time of flight (Q-TOF) Mass Spectrometry (MS) combined with a data-dependent acquisition method was used to analyse the entire sample spectrum. In total, 13223 positive ion peaks and 10616 negative ion peaks were extracted. OPLS-DA and several other analyses were performed using the original data. The OPLS-DA models showed good quality and had strong predictive power, indicating clear trends in the analyses of the treatment and control groups. Clustering and KEGG pathway analyses were used to screen the differential metabolites in the treatment and control groups from the three B. pervariabilis X D. grandis varieties and reflected their metabolic responses induced by A. phaeospermum infection. The results showed that the three B. pervariabilis x D. grandis varieties mode showed significant changes in the following six resistance-related metabolites after A. phaeospermum invasion in positive and negative ion modes: proline, glutamine, dictamnine, apigenin 7-O-neohesperidoside, glutamate, and cis-Aconitate. The following four main metabolic pathways are involved: Arginine and proline metabolism, Glyoxylate and dicarboxylate metabolism, Biosynthesis of alkaloids derived from shikimate pathway, and Flavone and flavonol biosynthesis. This study lays a foundation for the later detection of differential metabolites and metabolic pathways for targeting, and provides a theoretical basis for disease-resistant breeding and the control of B. pervariabilis x D. grandis blight.

Application In Synthesis of 2-Phenylbutanoic acid. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Photocarboxylation of Benzylic C-H Bonds WOS:000477787400010 published article about CARBON-DIOXIDE; VISIBLE-LIGHT; CATALYZED CARBOXYLATION; REDUCTION POTENTIALS; ALKENES; CO2; CARBONYLATION; RADICALS; HALIDES; SYSTEM in [Meng, Qing-Yuan; Schirmer, Tobias E.; Berger, Anna Lucia; Donabauer, Karsten; Koenig, Burkhard] Univ Regensburg, Inst Organ Chem, Fac Chem & Pharm, D-93040 Regensburg, Germany in 2019, Cited 58. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Product Details of 90-27-7

The carboxylation of sp(3)-hybridized C-H bonds with CO2 is a challenging transformation. Herein, we report a visible-light-mediated carboxylation of benzylic C-H bonds with CO2 into 2-arylpropionic acids under metal-free conditions. Photo-oxidized triisopropylsilanethiol was used as the hydrogen atom transfer catalyst to afford a benzylic radical that accepts an electron from the reduced form of 2,3,4,6-tetra(9H-carbazol-9-yl)-5-(1-phenylethyl)benzonitrile generated in situ. The resulting benzylic carbanion reacts with CO2 to generate the corresponding carboxylic acid after protonation. The reaction proceeded without the addition of any sacrificial electron donor, electron acceptor or stoichiometric additives. Moderate to good yields of the desired products were obtained in a broad substrate scope. Several drugs were successfully synthesized using the novel strategy.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics