Tag: M.W=150-200

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. SDS of cas: 90-27-7, 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.

SDS of cas: 90-27-7. 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.

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

Recently I am researching about C-H FUNCTIONALIZATION; DIRECT ALKYLATION; RADICAL PRECURSORS; CARBOXYLIC-ACIDS; DIRECT ARYLATION; AMINO-ACIDS; HETEROARENES; BOND; ALCOHOLS; ALKENES, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21833002, 21673110, 21903043]; Program B for Outstanding PhD Candidate of Nanjing University [201901B021]. Recommanded Product: 2-Phenylbutanoic acid. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Gao, LZ; Wang, GQ; Cao, J; Chen, H; Gu, YM; Liu, XT; Cheng, X; Ma, J; Li, SH. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

A practical and efficient Lewis acid-catalyzed radical-radical coupling reaction of N-hydroxyphthalimide esters and 4-cyanopyridines with inexpensive bis(pinacolato)-diboron as reductant has been developed. With ZnCl2 as the catalyst, a wide range of quaternary 4-substituted pyridines, including highly congested diarylmethyl and triarylmethyl substituents, could be selectively obtained in moderate to good yields with broad functional group tolerance. Combined theoretical calculations and experimental studies indicate that the Lewis acid could coordinate with the cyano group of the pyridine-boryl radical to lower the activation barrier of the C-C coupling pathway, leading to the formation of 4-substituted pyridines. Moreover, it could also facilitate the decyanation/aromatization of the radical-radical coupling intermediate.

Recommanded Product: 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Gao, LZ; Wang, GQ; Cao, J; Chen, H; Gu, YM; Liu, XT; Cheng, X; Ma, J; Li, SH or send Email.

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

Recommanded Product: 90-27-7. In 2021 J ORG CHEM published article about INTRAMOLECULAR AMINOHYDROXYLATION; STEREOSELECTIVE-SYNTHESIS; ASYMMETRIC DIAMINATION; IODINE(III) REAGENTS; OXIDATIVE AMINATION; C-O; HYPERVALENT; DIFLUORINATION; DIFUNCTIONALIZATION; FLUORINATION in [Deng, Xiao-Jun; Liu, Hui-Xia; Zhang, Lu-Wen; He, Wei] Fourth Mil Med Univ, Sch Pharm, Dept Chem, Xian 710032, Peoples R China; [Zhang, Guan-Yu; Yu, Zhi-Xiang] Peking Univ, Coll Chem, Beijing Natl Lab Mol Sci BNLMS, Key Lab Bioorgan Chem & Mol Engn,Minist Educ, Beijing 100871, Peoples R China in 2021, Cited 125. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Reported here is the room-temperature metal-free iodoarene-catalyzed oxyamination of unactivated alkenes. In this process, the alkenes are difunctionalized by the oxygen atom of the amide group and the nitrogen in an exogenous HNTs2 molecule. This mild and open-air reaction provided an efficient synthesis to N-bistosyl-substituted 5-imino-2-tetrahydrofuranyl methanamine derivatives, which are important motifs in drug development and biological studies. Mechanistic study based on experiments and density functional theory calculations showed that this transformation proceeds via activation of the substrate alkene by an in situ generated cationic iodonium(III) intermediate, which is subsequently attacked by an oxygen atom (instead of nitrogen) of amides to form a five-membered ring intermediate. Finally, this intermediate undergoes an S(N)2 reaction by NTs2 as the nucleophile to give the oxygen and nitrogen difunctionalized 5-imino-2-tetrahydrofuranyl methanamine product. An asymmetric variant of the present alkene oxyamination using chiral iodoarenes as catalysts also gave promising results for some of the substrates.

Recommanded Product: 90-27-7. Welcome to talk about 90-27-7, If you have any questions, you can contact Deng, XJ; Liu, HX; Zhang, LW; Zhang, GY; Yu, ZX; He, W or send Email.

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

COA of Formula: C10H12O2. 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.

COA of Formula: C10H12O2. Welcome to talk about 90-27-7, If you have any questions, you can contact Childers, W; Fan, R; Martinez, R; Colussi, DJ; Melenski, E; Liu, YX; Gordon, J; Abou-Gharbia, M; Jacobson, MA or send Email.

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

Recently I am researching about ANALOGS; INHIBITORS, Saw an article supported by the Ataturk University, Faculty of Sciences, Department of Chemistry. Application In Synthesis of 2-Phenylbutanoic acid. Published in PERGAMON-ELSEVIER SCIENCE LTD in OXFORD ,Authors: Atmaca, U. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

Effective synthesis of novel sulfamates from various carboxylic acids has been developed in the presence of chlorosulfonyl isocyanate (CSI) in mild conditions. Several acids, bases and solvents effects were investigated for one-pot synthesis sulfamates as a catalyst. Finally, triflic acid was found to possess efficiently under optimized conditions in acetonitrile. This method is easy, fair price and practical. It can be synthesized on grams and milligrams scale. (C) 2019 Elsevier Ltd. All rights reserved.

Application In Synthesis of 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Atmaca, U or send Email.

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

An article Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies WOS:000464988000013 published article about FT-RAMAN; MOLECULAR DOCKING; CHEMICAL COMPUTATIONS; HOMO-LUMO; IR; DFT; NMR; UV; SPECTRA; DIMER 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 in 2019, Cited 39. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Recommanded Product: 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.

Recommanded Product: 90-27-7. Welcome to talk about 90-27-7, If you have any questions, you can contact Raajaraman, BR; Sheela, NR; Muthu, S or send Email.

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

HPLC of Formula: C10H12O2. In 2019 ORG LETT published article about ELECTROPHILIC AMINATION; ASYMMETRIC-SYNTHESIS; ENANTIOSELECTIVE AMINATION; DERIVATIVES; ACETALS; ESTERS; CYANOACETATES; CONSTRUCTION; COMPLEXES; STRATEGY in [Sawamura, Masaya; Shimizu, Yohei] Hokkaido Univ, Inst Chem React Design & Discovery WPI ICReDD, Kita Ku, Kita 21 Nishi 10, Sapporo, Hokkaido 0010021, Japan; [Morisawa, Takuto; Sawamura, Masaya; Shimizu, Yohei] Hokkaido Univ, Fac Sci, Dept Chem, Kita Ku, Kita 10 Nishi 8, Sapporo, Hokkaido 0600810, Japan in 2019, Cited 45. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

A boron-catalyzed alpha-amination of simple carboxylic acids was developed. Catalytically generated boron enolates of carboxylic acids reacted with an electrophilic aminating reagent, diisopropylazodicarboxylate, to provide amino acid derivatives. The catalysis afforded not only alpha-monosubstituted glycine derivatives but also alpha,alpha-disubstituted derivatives. The resulting alpha-aminocarboxylic acid was easily converted to carboxylic acid derivatives. Extension to a catalytic asymmetric variant was possible by introducing a chiral ligand on the boron catalyst.

HPLC of Formula: C10H12O2. Welcome to talk about 90-27-7, If you have any questions, you can contact Morisawa, T; Sawamura, M; Shimizu, Y or send Email.

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

Yu, I; Choi, D; Lee, HK; Cho, H in [Yu, Insun; Cho, Hoon] Chosun Univ, Dept Polymer Sci & Engn, Gwangju 501759, South Korea; [Choi, Dubok] BK Co Ltd, Biotechnol Lab, Jeonbuk 5703, South Korea; [Lee, Hee-Kyung] CHA Univ, Sch Business, Beauty & Cosmet Management, Seongnam 13488, South Korea published Synthesis and Biological Evaluation of New Benzylidenethiazolidine-2,4-dione Derivatives as 15-hydroxyprostaglandin Dehydrogenase Inhibitors to Control the Intracellular Levels of Prostaglandin E-2 for Wound Healing in 2019, Cited 23. Application In Synthesis of 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

A novel series of benzylidenethiazolidine-2,4-dione derivatives was synthesized and investigated for 15-hydroxyprostaglandin dehydrogenase (15-PGDH)-scavenging activity, PGE(2) release, and wound-healing activity. Among the tested derivatives, seven compounds (3, 9, 11, 12, 13, 14, and 25) resulted in a 50% inhibition of 15-PGDH at concentrations between 0.07 and 0.2 mu M and increased PGE(2) levels from 300 to over 600% in A549 cells treated with 5.0 and 10.0 mu M of the compounds for 12 h. A scratch wound-healing assay using HaCaT cell line was conducted to verify the effects of 10 mu M of these compounds on cell regeneration. The closure rate of the scratch wound healing showed that all compounds (3, 9, 11, 12, 13, 14, and 25) had greater wound regeneration effects than the cell growth factor, TGF-beta 1, which was used as the positive control. In particular, (Z)-N-benzyl-4-((2,4-dioxothiazolidin-5-ylidene)methyl)benzamide (compound 14) showed that the highest wound closure rate, which was 360%; this is about 3.6-fold higher than that of TGF-beta 1. Overall, these results show that compound 14 may be considered a promising candidate for the development of novel wound-healing agents.

Application In Synthesis of 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Yu, I; Choi, D; Lee, HK; Cho, H or send Email.

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

An article Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters WOS:000468366900037 published article about CANDIDA-ANTARCTICA LIPASE; DIRECTED EVOLUTION; CATALYSIS CONCEPT; METAL CATALYSIS; ENZYMES; ENANTIOSELECTIVITY; TRANSFORMATIONS; CLASSIFICATION; SEQUENCE; FORMS in [Xu, Jian; Cen, Yixin; Fan, Jiajie; Lin, Xianfu; Wu, Qi] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China; [Singh, Warispreet; Huang, Meilan] Queens Univ, Sch Chem & Chem Engn, David Keir Bldg,Stranmillis Rd, Belfast BT9 5AG, Antrim, North Ireland; [Cen, Yixin; Wu, Lian; Zhou, Jiahai] Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Bioorgan & Nat Prod Chem, Shanghai 200032, Peoples R China; [Reetz, Manfred T.] Max Planck Inst Kohlenforsch, Kaiser Wilhelm Pl 1, D-45470 Mulheim, Germany; [Reetz, Manfred T.] Philipps Univ, Dept Chem, Hans Meerwein Str 4, D-35032 Marburg, Germany in 2019, Cited 88. Recommanded Product: 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

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.

Recommanded Product: 2-Phenylbutanoic acid. 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.

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

I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach published in 2020. HPLC of Formula: C10H12O2, Reprint Addresses West, C (corresponding author), Univ Orleans, Inst Organ & Analyt Chem, CNRS UMR 7311, Rue Chartres BP 6759, F-45067 Orleans, France.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

Chiralpak ZWIX(+) and ZWIX(-), are brush-type bonded-silica chiral stationary phases (CSPs), based on complex diastereomeric Cinchona alkaloids derivatives bearing both a positive and a negative charge. In the present study, we aimed to improve the understanding of retention and enantioseparation mechanisms of these CSPs employed in supercritical fluid chromatography (SFC). For this purpose, 9 other stationary phases were used as comparison systems: two of them are commercially available and bear only a positive charge (Chiralpak QN-AX and QD-AX) and the 7 others were designed purposely to be structurally similar to the parent ZWIX phases, but miss some portion of the complex ligand. First, cluster analysis was employed to identify similar and dissimilar behavior among the 11 stationary phases, where ionic interactions appeared to dominate the observed differences. Secondly, the stationary phases were characterized with linear solvation energy relationships (LSER) based on the SFC analysis of 161 achiral analytes and a modified version of the solvation parameter model to include ionic interactions. This served to compare the interaction capabilities for the 11 stationary phases and showed in particular the contribution of attractive and repulsive ionic interactions. Then the ZWIX phases were characterized for their enantioseparation capabilities with a set of 58 racemic probes. Discriminant analysis was applied to explore the molecular structural features that are useful to successful enantioseparation on the ZWIX phases. In particular, it appeared that the presence of positive charges in the analyte is causing increased retention but is not necessarily a favorable feature to enantiorecognition. On the opposite, the presence of negative charges in the analyte favors early elution and enantiorecognition. Finally, a smaller set of 30 pairs of enantiomers, selected by their structural diversity and different enantioseparation values on the ZWIX phases, were analyzed on all chiral phases to observe the contribution of each structural fragment of the chiral ligand on enantioselectivity. Molecular modelling of the ligands also helped in understanding the three-dimensional arrangement of each ligand, notably the intra-molecular hydrogen bonding or the possible contribution of ionic interactions. In the end, each structural element in the ZWIX phases appeared to be a significant contributor to successful enantioresolution, whether they contribute as direct interaction groups (ion-exchange functions) or as steric constraints to orientate the interacting groups towards the analytes. (C) 2019 Elsevier B.V. All rights reserved.

HPLC of Formula: C10H12O2. Welcome to talk about 90-27-7, If you have any questions, you can contact Raimbault, A; Ma, CMA; Ferri, M; Baurer, S; Bonnet, P; Bourg, S; Lammerhofer, M; West, C or send Email.

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