Day: October 14, 2021

In 2019 ACS CATAL published article about C-H AMINATION; COMPOUND-I; CYTOCHROME-P450 PEROXYGENASE; SUBSTRATE HYDROXYLATION; BACILLUS-SUBTILIS; DRUG-METABOLISM; HEME; ENZYMES; DECARBOXYLATION; REACTIVITY in [Pickl, Mathias; Kurakin, Sara; Schmid, Philipp; Poecheim, Alexander; Winkler, Christoph K.; Kroutil, Wolfgang; Faber, Kurt] Graz Univ, Dept Chem Organ & Bioorgan Chem, Heinrichstr 28, A-8010 Graz, Austria; [Winkler, Christoph K.] Austrian Ctr Ind Biotechnol ACIB GmbH, Petersgasse 14, A-8010 Graz, Austria; [Reinhard, Fabian G. Cantu; de Visser, Sam P.] Univ Manchester, Manchester Inst Biotechnol, 131 Princess St, Manchester M1 7DN, Lancs, England; [Reinhard, Fabian G. Cantu; de Visser, Sam P.] Univ Manchester, Sch Chem Engn & Analyt Sci, 131 Princess St, Manchester M1 7DN, Lancs, England in 2019, Cited 98. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Computed Properties of C10H12O2

The majority of cytochrome P450 enzymes (CYPs) predominantly operate as monooxygenases, but recently a class of P450 enzymes was discovered, that can act as peroxygenases (CYP152). These enzymes convert fatty acids through oxidative decarboxylation, yielding terminal alkenes, and through alpha- and beta-hydroxylation to yield hydroxy-fatty acids. Bioderived olefins may serve as biofuels, and hence understanding the mechanism and substrate scope of this class of enzymes is important. In this work, we report on the substrate scope and catalytic promiscuity of CYP OleT(JE) and two of its orthologues from the CYP152 family, utilizing alpha-monosubstituted branched carboxylic acids. We identify alpha,beta-desaturation as an unexpected dominant pathway for CYP OleT(JE) with 2-methylbutyric acid. To rationalize product distributions arising from alpha/beta-hydroxylation, oxidative decarboxylation, and desaturation depending on the substrate’s structure and binding pattern, a computational study was performed based on an active site complex of CYP OleT(JE) containing the heme cofactor in the substrate binding pocket and 2-methylbutyric acid as substrate. It is shown that substrate positioning determines the accessibility of the oxidizing species (Compound I) to the substrate and hence the regio- and chemoselectivity of the reaction. Furthermore, the results show that, for 2-methylbutyric acid, alpha,beta-desaturation is favorable because of a rate-determining alpha-hydrogen atom abstraction, which cannot proceed to decarboxylation. Moreover, substrate hydroxylation is energetically impeded due to the tight shape and size of the substrate binding pocket.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Pickl, M; Kurakin, S; Reinhard, FGC; Schmid, P; Pocheim, A; Winkler, CK; Kroutil, W; de Visser, SP; Faber, K or concate me.. Computed Properties of C10H12O2

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

Recently I am researching about AUXILIARY BASIS-SETS; BIMETALLIC OXIDATIVE ADDITION; ATOM-TRANSFER CARBONYLATION; ZETA-VALENCE QUALITY; ARYL HALIDES; ELECTRONIC-STRUCTURE; COMPLEX CATALYST; ALLYL HALIDES; ALKYL IODIDES; LOW-PRESSURE, Saw an article supported by the Heidelberg University; BASF SEBASF. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Sabater, S; Menche, M; Ghosh, T; Krieg, S; Ruck, KSL; Paciello, R; Schafer, A; Comba, P; Hashmi, ASK; Schaub, T. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid. Quality Control of 2-Phenylbutanoic acid

The carbonylation of alcohols represents a straightforward and atom-efficient methodology for the preparation of carboxylic acids. It is desirable to perform these reactions under precious metal-free and low-pressure conditions, with regioselectivity control. In this work, we present a detailed mechanistic study of a catalytic system based on NiI2, which can carbonylate benzylic alcohols in a highly regioselective manner to the corresponding branched carboxylic acids, core motifs for nonsteroidal drugs. The combination of catalytic amounts of nickel and iodide is crucial for efficient catalytic and regioselective conversion. Quantum-chemical computations were used to evaluate the underlying mechanistic processes. They revealed that a combination of two mechanisms is responsible for the observed reactivity and that the oxidative addition of alkyl halides to the Ni(0) species follows a radical oxidation pathway via two one-electron steps.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Sabater, S; Menche, M; Ghosh, T; Krieg, S; Ruck, KSL; Paciello, R; Schafer, A; Comba, P; Hashmi, ASK; Schaub, T or concate me.. Quality Control of 2-Phenylbutanoic acid

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

Authors Du, RL; Bei, HK; Jia, LH; Huang, CY; Chen, QZ; Tao, CL; Chen, J; Bo, HB in ELSEVIER IRELAND LTD published article about in [Du, Ruilan; Bei, Haikang; Jia, Lihong; Huang, Chunyan; Chen, Qizhu; Tao, Changli; Bo, Huaben] Guangdong Pharmaceut Univ, Sch Biosci & Biopharmaceut, Guangdong Prov Key Lab Biotechnol Drug Candidates, Guangzhou 510006, Guangdong, Peoples R China; [Chen, Jun] Guangdong Pharmaceut Univ, Coll Pharm, Guangzhou 510006, Guangdong, Peoples R China in 2020, Cited 32. Product Details of 90-27-7. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Ethnopharmacological relevance: Danggui Buxue Tang (DBT) has been used to promote hematopoiesis and relieve myelosuppression in China. Antibiotics can cause myelosuppression through gut microbiota disorders. Aim of the study: This study aims to explore the way of DBT to alleviate the metabolic disorder caused by antibiotics. Materials and methods: In this study, 16S rRNA sequencing was used to detect the change of gut microbiota, metabolomics to analyze the change of metabolites. Correlation analysis was used to establishment the correlation between gut microbiota and metabolites. PICRUST 2 was used to predict the function of gut microbiota. Results: Results showed that eighty-two genera of gut microbiota were affected by antibiotic, while twelve were significantly restored after DBT. Seventy-four potential metabolites were significantly different from the antibiotics and DBT. We found significant recovery by the Bacteroides and Rikenellaceae RC9 after DBT. The metabolic pathways influenced by the antibiotic treatment included primary and secondary bile biosynthesis, etc. The metabolic pathways that could be restored after DBT included the primary and secondary bile acid biosynthesis pathway, etc. Through correlation analysis, we found a correlation between the Bacteroides, Rikenellaceae_RC9_gut_groupand other potential differential metabolisms such as those of taurodeoxycholic acid, N-phenylacetyl glycine, etc. The functional prediction showed that the biosynthesis of primary bile acid, secondary bile acid was significantly affected. Conclusions: DBT can restore the gut and reverse the metabolic disorder caused by antibiotics through Bacteroides, and it provides a new medical idea regarding the gut microbiota balance.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Du, RL; Bei, HK; Jia, LH; Huang, CY; Chen, QZ; Tao, CL; Chen, J; Bo, HB or concate me.. Product Details of 90-27-7

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

An article Palladium-Catalyzed 2-(Neopentylsulfinyl)aniline Directed C-H Acetoxylation and Alkenylation of Arylacetamides WOS:000513195600001 published article about PHENYLACETIC ACIDS; SULFINYL ANILINE; ACTIVATION REACTIONS; ARYLATION; BOND; FUNCTIONALIZATION; OLEFINATION; AUXILIARY; ARENES; CYCLOPROPANOLS in [Barysevich, Maryia, V; Laktsevich-Iskryk, Marharyta, V; Krech, Anastasiya, V; Zhabinskii, Vladimir N.; Khripach, Vladimir A.; Hurski, Alaksiej L.] Natl Acad Sci Belarus, Inst Bioorgan Chem, Kuprevich Str 5-2, Minsk 220141, BELARUS in 2020, Cited 85. Recommanded Product: 90-27-7. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

The 2-(neopentylsulfinyl)aniline directing group that promotes rapid palladium-catalyzed C-H acetoxylation and alkenylation of arylacetamides has been developed. The acetoxylation reaches completion within only 40 min at 100 degrees C and leads to the bis-functionalized products. Alternatively, the reaction can be carried out at room temperature, which is beneficial for sensitive substrates. For the alkenylation, we have developed a protocol in which easily available 1-substituted cyclopropanols were employed as equivalents of vinyl ketones.

Recommanded Product: 90-27-7. About 2-Phenylbutanoic acid, If you have any questions, you can contact Barysevich, MV; Laktsevich-Iskryk, MV; Krech, AV; Zhabinskii, VN; Khripach, VA; Hurski, AL or concate me.

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

Authors Barysevich, MV; Laktsevich-Iskryk, MV; Krech, AV; Zhabinskii, VN; Khripach, VA; Hurski, AL in WILEY-V C H VERLAG GMBH published article about PHENYLACETIC ACIDS; SULFINYL ANILINE; ACTIVATION REACTIONS; ARYLATION; BOND; FUNCTIONALIZATION; OLEFINATION; AUXILIARY; ARENES; CYCLOPROPANOLS in [Barysevich, Maryia, V; Laktsevich-Iskryk, Marharyta, V; Krech, Anastasiya, V; Zhabinskii, Vladimir N.; Khripach, Vladimir A.; Hurski, Alaksiej L.] Natl Acad Sci Belarus, Inst Bioorgan Chem, Kuprevich Str 5-2, Minsk 220141, BELARUS in 2020, Cited 85. Quality Control of 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

The 2-(neopentylsulfinyl)aniline directing group that promotes rapid palladium-catalyzed C-H acetoxylation and alkenylation of arylacetamides has been developed. The acetoxylation reaches completion within only 40 min at 100 degrees C and leads to the bis-functionalized products. Alternatively, the reaction can be carried out at room temperature, which is beneficial for sensitive substrates. For the alkenylation, we have developed a protocol in which easily available 1-substituted cyclopropanols were employed as equivalents of vinyl ketones.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Barysevich, MV; Laktsevich-Iskryk, MV; Krech, AV; Zhabinskii, VN; Khripach, VA; Hurski, AL or concate me.. Quality Control of 2-Phenylbutanoic acid

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

Recently I am researching about ALIPHATIC CARBOXYLIC-ACIDS; CROSS-COUPLING REACTIONS; REDOX-ACTIVE ESTERS; REGIOSELECTIVE SYNTHESIS; PHOTOREDOX; LIGHT; ARYLATION; STRATEGY; HALIDES, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21722203, 21831002, 21801116]; Guangdong Provincial Key Laboratory of Catalysis [2020B121201002]; Guangdong Innovative Program [2019BT02Y335]; Shenzhen Nobel Prize Scientists Laboratory Project [C17783101]; SUSTech Special Fund for the Construction of High-Level Universities [G02216303]. Application In Synthesis of 2-Phenylbutanoic acid. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Xia, HD; Li, ZL; Gu, QS; Dong, XY; Fang, JH; Du, XY; Wang, LL; Liu, XY. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

We describe a photoinduced copper-catalyzed asymmetric radical decarboxylative alkynylation of bench-stable N-hydroxyphthalimide(NHP)-type esters of racemic alkyl carboxylic acids with terminal alkynes, which provides a flexible platform for the construction of chiral C(sp(3))-C(sp) bonds. Critical to the success of this process are not only the use of the copper catalyst as a dual photo- and cross-coupling catalyst but also tuning of the NHP-type esters to inhibit the facile homodimerization of the alkyl radical and terminal alkyne, respectively. Owing to the use of stable and easily available NHP-type esters, the reaction features a broader substrate scope compared with reactions using the alkyl halide counterparts, covering (hetero)benzyl-, allyl-, and aminocarbonyl-substituted carboxylic acid derivatives, and (hetero)aryl and alkyl as well as silyl alkynes, thus providing a vital complementary approach to the previously reported method.

Application In Synthesis of 2-Phenylbutanoic acid. About 2-Phenylbutanoic acid, If you have any questions, you can contact Xia, HD; Li, ZL; Gu, QS; Dong, XY; Fang, JH; Du, XY; Wang, LL; Liu, XY or concate me.

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

Formula: 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.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Duan, SG; Hong, K; Tang, M; Tang, J; Liu, LX; Gao, GF; Shen, ZJ; Zhang, XM; Yi, Y or concate me.. Formula: C10H12O2

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

An article Rhenium-Catalyzed Reduction of Carboxylic Acids with Hydrosilanes WOS:000489200100006 published article about ONE-POT CONVERSION; SELECTIVE REDUCTION; FACILE REDUCTION; ENANTIOSELECTIVE REDUCTION; CONVENIENT SYNTHESIS; LIGANDS SYNTHESIS; SALEN COMPLEXES; CARBONYL GROUPS; METHYL SULFIDE; ALDEHYDES in [Wei, Duo] Univ Rennes, CNRS, ISCR UMR 6226, F-35000 Rennes, France; [Wei, Duo; Buhaibeh, Ruqaya; Canac, Yves; Sortais, Jean-Baptiste] Univ Toulouse, UPS, CNRS, LCC, Toulouse, France; [Sortais, Jean-Baptiste] Inst Univ France, 1 Rue Descartes, F-75231 Paris 05, France in 2019, Cited 59. Product Details of 90-27-7. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Re-2(CO)(10) efficiently catalyzes the direct reduction of various carboxylic acids under mild conditions (rt, irradiation 350 or 395 nm). While aliphatic carboxylic acids were readily converted to the corresponding disilylacetals with low catalyst loading (0.5 mol %) in the presence of Et3SiH (2.2 equiv), aromatic analogues required more drastic conditions (Re-2(CO)(10) 5 mol %, Ph2MeSiH 4.0 equiv) to afford the corresponding aldehydes after acid treatment.

Product Details of 90-27-7. About 2-Phenylbutanoic acid, If you have any questions, you can contact Wei, D; Buhaibeh, R; Canac, Y; Sortais, JB or concate me.

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

Product Details of 90-27-7. Authors Du, RL; Bei, HK; Jia, LH; Huang, CY; Chen, QZ; Tao, CL; Chen, J; Bo, HB in ELSEVIER IRELAND LTD published article about in [Du, Ruilan; Bei, Haikang; Jia, Lihong; Huang, Chunyan; Chen, Qizhu; Tao, Changli; Bo, Huaben] Guangdong Pharmaceut Univ, Sch Biosci & Biopharmaceut, Guangdong Prov Key Lab Biotechnol Drug Candidates, Guangzhou 510006, Guangdong, Peoples R China; [Chen, Jun] Guangdong Pharmaceut Univ, Coll Pharm, Guangzhou 510006, Guangdong, Peoples R China in 2020, Cited 32. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Ethnopharmacological relevance: Danggui Buxue Tang (DBT) has been used to promote hematopoiesis and relieve myelosuppression in China. Antibiotics can cause myelosuppression through gut microbiota disorders. Aim of the study: This study aims to explore the way of DBT to alleviate the metabolic disorder caused by antibiotics. Materials and methods: In this study, 16S rRNA sequencing was used to detect the change of gut microbiota, metabolomics to analyze the change of metabolites. Correlation analysis was used to establishment the correlation between gut microbiota and metabolites. PICRUST 2 was used to predict the function of gut microbiota. Results: Results showed that eighty-two genera of gut microbiota were affected by antibiotic, while twelve were significantly restored after DBT. Seventy-four potential metabolites were significantly different from the antibiotics and DBT. We found significant recovery by the Bacteroides and Rikenellaceae RC9 after DBT. The metabolic pathways influenced by the antibiotic treatment included primary and secondary bile biosynthesis, etc. The metabolic pathways that could be restored after DBT included the primary and secondary bile acid biosynthesis pathway, etc. Through correlation analysis, we found a correlation between the Bacteroides, Rikenellaceae_RC9_gut_groupand other potential differential metabolisms such as those of taurodeoxycholic acid, N-phenylacetyl glycine, etc. The functional prediction showed that the biosynthesis of primary bile acid, secondary bile acid was significantly affected. Conclusions: DBT can restore the gut and reverse the metabolic disorder caused by antibiotics through Bacteroides, and it provides a new medical idea regarding the gut microbiota balance.

Product Details of 90-27-7. About 2-Phenylbutanoic acid, If you have any questions, you can contact Du, RL; Bei, HK; Jia, LH; Huang, CY; Chen, QZ; Tao, CL; Chen, J; Bo, HB or concate me.

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

An article Synthesis, Structural Analysis, and Biological Evaluation of Novel ((2,4-dioxothiazolidin-5-ylidene)methyl)phenyl Derivatives WOS:000529539700002 published article about HUMAN 15-HYDROXYPROSTAGLANDIN DEHYDROGENASE in [Na, A. Ri; Cho, Hoon] Chosun Univ, Dept Polymer Sci & Engn, Gwangju 61452, South Korea; [Choi, Dubok] B K Co Ltd, Biotechnol Lab, Jeonbuk 5703, South Korea in 2020, Cited 28. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. COA of Formula: C10H12O2

The objective of this study was to evaluate the synthesis, structural analysis, and biological effects of novel ((2, 4-dioxothiazolidin-5-ylidene)methyl)phenyl derivatives. The efficacy of 15-PGDH inhibition increased for the substituents in the derivatives in the order: cyclohexylpropyl > cyclohexylethyl > cyclohexylmethyl > cyclohexyl. Compound 12 inhibited 15-PGDH activity by binding to the amino acids Ile 214, Ile 210, Ile 194, Gln 148, and Leu 191 of 15-PGDH. Compounds 4, 22, and 23 produced the highest increment in PGE(2) concentration, which was 122.19, 100.14, and 206.80%, respectively, compared to that of the control. Also, compounds 38 and 39, in which the central phenyl ring and the 2, 4-thiazolidinedione moiety were linked by a single bond, produced a relatively high increment in PGE(2) concentration, which was 106.81 and 118.66%, respectively, compared to that of the control. The wound closure rates of compounds 22 and 39 were the highest, being 247.56 and 202.42%, respectively, compared to that of the positive control. Therefore, compounds 22 and 39 could not only efficiently regulate PGE(2) concentration, but also induce cellular regeneration, and are expected to effectively treat a variety of diseases resulting from PGE(2) deficiency.

COA of Formula: C10H12O2. About 2-Phenylbutanoic acid, If you have any questions, you can contact Na, AR; Choi, D; Cho, H or concate me.

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