Month: September 2021

Authors Childers, W; Fan, R; Martinez, R; Colussi, DJ; Melenski, E; Liu, YX; Gordon, J; Abou-Gharbia, M; Jacobson, MA in PERGAMON-ELSEVIER SCIENCE LTD published article about GLUCOSYLCERAMIDE SYNTHASE; TAMOXIFEN; SUBSTRATE 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 in 2020, Cited 23. Safety of 2-Phenylbutanoic acid. 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.

About 2-Phenylbutanoic acid, 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 concate me.. Safety of 2-Phenylbutanoic acid

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

In 2020 ACS CATAL published article about LIGAND-ENABLED ORTHO; BOND ACTIVATION; DIRECTING GROUP; ARYLATION; OLEFINATION; BORYLATION; MILD; PD; ALLYLATION; ALKYLATION in [Gholap, Aniket; Bag, Sukdev; Pradhan, Sukumar; Kapdi, Anant R.; Maiti, Debabrata] Inst Chem Technol, Dept Chem, Mumbai 400019, Maharashtra, India in 2020, Cited 64. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Formula: C10H12O2

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.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Gholap, A; Bag, S; Pradhan, S; Kapdi, AR; Maiti, D or concate me.. Formula: C10H12O2

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

Authors Childers, W; Fan, R; Martinez, R; Colussi, DJ; Melenski, E; Liu, YX; Gordon, J; Abou-Gharbia, M; Jacobson, MA in PERGAMON-ELSEVIER SCIENCE LTD published article about GLUCOSYLCERAMIDE SYNTHASE; TAMOXIFEN; SUBSTRATE 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 in 2020, Cited 23. HPLC of Formula: C10H12O2. 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.

About 2-Phenylbutanoic acid, 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 concate me.. HPLC of Formula: C10H12O2

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

Safety of 2-Phenylbutanoic acid. Zhang, PL; Cheng, Q; Xu, WF; Tang, KW in [Zhang, Panliang; Cheng, Qing; Xu, Weifeng; Tang, Kewen] Hunan Inst Sci & Technol, Dept Chem & Chem Engn, Yueyang 414000, Hunan, Peoples R China published Modeling and optimization of lipase-catalyzed hydrolysis for production of (S)-2-phenylbutyric acid enhanced by hydroxyethyl-beta-cyclodextrin in 2019, Cited 44. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

An efficient reactive system was established to produce (S)-2-phenylbutyric acid (2-PBA) through the enzymatic enantioselective hydrolysis of 2-phenylbutyrate ester (2-PBAE) in aqueous medium. Lipase CALA from Canadian antarctica and hexyl 2-phenylbutyrate (2-PBAHE) were identified upon screening as the best enzyme and substrate, respectively. Adding hydroxyethyl-beta-cyclodextrin (HE-beta-CD) to improve the solubility of the substrate resulted in a 1.5 times increase in substrate conversion while retaining a high enantioselectivity compared with that when HE-beta-CD was not added. The effects of lipase concentration, substrate concentration and HE-beta-CD concentration, temperature, pH, and reaction time on enantiomeric excess and conversion rate were investigated, and the optimal conditions were identified using response surface methodology (RSM). Under the optimal conditions, namely 50 mg/mL lipase CALA, 30 mmol/L substrate, 60 mmol/L HE-beta-CD, pH of 6.5, temperature of 83 degrees C and reaction time of 18 h, the enantiomeric excess and overall conversion rate were 96.05% and 27.28%, respectively. This work provides an efficient alternative method for improving the conversion of aromatic ester substrates by including beta-cyclodextrin in an aqueous hydrolysis reaction system.

Safety of 2-Phenylbutanoic acid. About 2-Phenylbutanoic acid, If you have any questions, you can contact Zhang, PL; Cheng, Q; Xu, WF; Tang, KW or concate me.

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

An article Global Diastereoconvergence in the Ireland-Claisen Rearrangement of Isomeric Enolates: Synthesis of Tetrasubstituted alpha-Amino Acids WOS:000605189000037 published article about DIASTEREOSELECTIVE SYNTHESIS; STEREOSELECTIVE-SYNTHESIS; ESTERS; BOAT in [Fulton, Tyler J.; Cusumano, Alexander Q.; Alexy, Eric J.; Du, Yun E.; Stoltz, Brian M.] CALTECH, Warren & Katharine Schlinger Lab Chem & Chem Engn, Div Chem & Chem Engn, Pasadena, CA 91125 USA; [Zhang, Haiming] Genentech Inc, Small Mol Proc Chem, San Francisco, CA 94080 USA; [Houk, K. N.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA in 2020, Cited 35. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Recommanded Product: 2-Phenylbutanoic acid

A dual experimental/theoretical investigation of the Ireland-Claisen rearrangement of tetrasubstituted alpha-phthalimido ester enolates to afford alpha-tetrasubstituted, beta-trisubstituted alpha-amino acids (generally >20:1 dr) is described. For trans allylic olefins, the Z- and E-enol ethers proceed through chair and boat transition states, respectively. For cis allylic olefins, the trend is reversed. As a result, the diastereochemical outcome of the reaction is preserved regardless of the geometry of the enolate or the accompanying allylic olefin. We term this unique convergence of all possible olefin isomers global diastereoconvergence. This reaction manifold circumvents limitations in present-day technologies for the stereoselective enolization of alpha,alpha-disubstituted allyl esters. Density functional theory paired with state-of-the-art local coupled-cluster theory (DLPNO-CCSD(T)) was employed for the accurate determination of quantum mechanical energies.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Fulton, TJ; Cusumano, AQ; Alexy, EJ; Du, YE; Zhang, HM; Houk, KN; Stoltz, BM or concate me.. Recommanded Product: 2-Phenylbutanoic acid

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

An article Novel compounds that reverse the disease phenotype in Type 2 Gaucher disease patient-derived cells WOS:000504873300031 published article about GLUCOSYLCERAMIDE SYNTHASE; TAMOXIFEN; SUBSTRATE 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 in 2020, Cited 23. Name: 2-Phenylbutanoic acid. 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.

Name: 2-Phenylbutanoic acid. About 2-Phenylbutanoic acid, 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 concate me.

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

COA of Formula: C10H12O2. Authors Chen, KQ; Shen, J; Wang, ZX; Chen, XY in ROYAL SOC CHEMISTRY published article about in [Chen, Kun-Quan; Shen, Jie; Wang, Zhi-Xiang; Chen, Xiang-Yu] Univ Chinese Acad Sci, Sch Chem Sci, Beijing 100049, Peoples R China in 2021, Cited 68. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Olefins are prevalent substrates and functionalities. The synthesis of olefins from readily available starting materials such as alcohols, amines and carboxylic acids is of great significance to address the sustainability concerns in organic synthesis. Metallaphotoredox-catalyzed defunctionalizations were reported to achieve such transformations under mild conditions. However, all these valuable strategies require a transition metal catalyst, a ligand or an expensive photocatalyst, with the challenges of controlling the region- and stereoselectivities remaining. Herein, we present a fundamentally distinct strategy enabled by electron donor-acceptor (EDA) complexes, for the selective synthesis of olefins from these simple and easily available starting materials. The conversions took place via photoactivation of the EDA complexes of the activated substrates with alkali salts, followed by hydrogen atom elimination from in situ generated alkyl radicals. This method is operationally simple and straightforward and free of photocatalysts and transition-metals, and shows high regio- and stereoselectivities.

COA of Formula: C10H12O2. About 2-Phenylbutanoic acid, If you have any questions, you can contact Chen, KQ; Shen, J; Wang, ZX; Chen, XY or concate me.

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

Recently I am researching about CONTAMINATED SOIL; ENVIRONMENTAL-POLLUTANTS; RING-CLEAVAGE; BIODEGRADATION; BIOREMEDIATION; DEGRADATION; OXIDATION; HYDROCARBONS; BACTERIA; FUNGI, Saw an article supported by the DAAD (Deutscher Akademischer Austauschdienst)Deutscher Akademischer Austausch Dienst (DAAD) [50754935, 57525256]. Published in SPRINGER in NEW YORK ,Authors: Mikolasch, A; Berzhanova, R; Omirbekova, A; Reinhard, A; Zuhlke, D; Meister, M; Mukasheva, T; Riedel, K; Urich, T; Schauer, F. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid. Computed Properties of C10H12O2

The yeast strain Moniliella spathulata SBUG-Y 2180 was isolated from oil-contaminated soil at the Tengiz oil field in the Atyrau region of Kazakhstan on the basis of its unique ability to use crude oil and its components as the sole carbon and energy source. This yeast used a large number of hydrocarbons as substrates (more than 150), including n-alkanes with chain lengths ranging from C-10 to C-32, monomethyl- and monoethyl-substituted alkanes (C-9-C-23), and n-alkylcyclo alkanes with alkyl chain lengths from 3 to 24 carbon atoms as well as substituted monoaromatic and diaromatic hydrocarbons. Metabolism of this huge range of hydrocarbon substrates produced a very large number of aliphatic, alicyclic, and aromatic acids. Fifty-one of these were identified by GC/MS analyses. This is the first report of the degradation and formation of such a large number of compounds by a yeast. Inoculation of barley seeds with M. spathulata SBUG-Y 2180 had a positive effect on shoot and root development of plants grown in oil-contaminated sand, pointing toward potential applications of the yeast in bioremediation of polluted soils.

Computed Properties of C10H12O2. About 2-Phenylbutanoic acid, If you have any questions, you can contact Mikolasch, A; Berzhanova, R; Omirbekova, A; Reinhard, A; Zuhlke, D; Meister, M; Mukasheva, T; Riedel, K; Urich, T; Schauer, F or concate me.

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

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. Formula: C10H12O2. 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.

Formula: C10H12O2. About 2-Phenylbutanoic acid, If you have any questions, you can contact Raajaraman, BR; Sheela, NR; Muthu, S or concate me.

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

Recently I am researching about REDOX-ACTIVE ESTERS; PHOTOCHEMICAL GENERATION; O-ACYLOXIMES; PHOTOREDOX; CATALYSIS; N-(ACYLOXY)PHTHALIMIDES; SECONDARY; AMINATION; MECHANISM; OXIMES, Saw an article supported by the National Research Foundation of KoreaNational Research Foundation of Korea [NRF-2015M3D1A1070639, NRF-2019R1A2C2003969, NRF-2012M3A7B4049657, NRF-2014011165, NRF2017R1A2B2004082]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Soni, VK; Lee, S; Kang, J; Moon, YK; Hwang, HS; You, Y; Cho, EJ. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid. Computed Properties of C10H12O2

Reductive N-O bond cleavage has been widely explored for providing either N or O radical species for various coupling processes. Despite significant advances, this photoredox pathway is less appealing due to poor atom economy owing to the loss of one fragment during the transformation. In this regard, the homolytic N-O bond cleavage by an energy-transfer pathway to provide two key radicals would be highly desirable for overcoming the limitations of the use of one fragment. We report an exclusive energy-transfer approach for the development of a challenging radical-radical C(sp(3))-N cross-coupling process by reactivity-tuning of the catalytic system. The homolytic N-O bond cleavage of oxime esters in the presence of an Ir complex produces acyloxy and iminyl radicals, which undergo decarboxylative cross-coupling to yield valuable imines (typically 0.25 mol % cat. and 1 h reaction time). Extensive photophysical and electrochemical measurements, as well as density functional theory studies, were carried out to probe the mechanism and the operation of a Dexter-type energy-transfer pathway was revealed. The choice of solvent (EtOAc) and reaction concentration were critical for achieving the selectivity and reactivity in this cross-coupling process. The synthetic utility of this method was explored by studying highly functionalized oxime esters, including derivatives of biologically active natural products and drug molecules. Furthermore, in situ transformations of the imine products into pharmaceutically important amines were also demonstrated, showcasing the utility of the imine products as valuable amine building blocks.

Computed Properties of C10H12O2. About 2-Phenylbutanoic acid, If you have any questions, you can contact Soni, VK; Lee, S; Kang, J; Moon, YK; Hwang, HS; You, Y; Cho, EJ or concate me.

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