Category: 98-17-9

I found the field of Pharmacology & Pharmacy very interesting. Saw the article Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies published in 2019. Computed Properties of C7H5F3O, Reprint Addresses Lolli, ML (corresponding author), Univ Turin, Dept Sci & Drug Technol, Via Pietro Giuria 9, I-10125 Turin, Italy.. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol

Plasmodium falciparum dihydroorotate dehydrogenase (PJDHODH) has been clinically validated as a target for antimalarial drug discovery, as a triazolopyrimidine class inhibitor (DSM265) is currently undergoing clinical development. Here, we have identified new hydroxyazole scaffold-based PJDHODH inhibitors belonging to two different chemical series. The first series was designed by a scaffold hopping strategy that exploits the use of hydroxylated azoles. Within this series, the hydroxythiadiazole 3 was identified as the best selective PJDHODH inhibitor (IC50 12.0 mu M). The second series was designed by modulating four different positions of the hydroxypyrazole scaffold. In particular, hydroxypyrazoles 7e and 7f were shown to be active in the low mu M range (IC50 2.8 and 5.3 mu M, respectively). All three compounds, 3, 7e and 7f showed clear selectivity over human DHODH (IC50> 200 mu M), low cytotoxicity, and retained micromolar activity in P. falciparum-infected erythrocytes. The crystallographic structures of PJDHODH in complex with compounds 3 and 7e proved their binding mode, supplying essential data for future optimization of these scaffolds. (C) 2018 Elsevier Masson SAS. All rights reserved.

Computed Properties of C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Pippione, AC; Sainas, S; Goyal, P; Fritzson, I; Cassiano, GC; Giraudo, A; Giorgis, M; Tavella, TA; Bagnati, R; Rolando, B; Caing-Carlsson, R; Costa, FTM; Andrade, CH; Al-Karadaghi, S; Boschi, D; Friemann, R; Lolli, ML or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Discovery of a novel series of hDHODH inhibitors with anti-pulmonary fibrotic activities WOS:000464108100006 published article about HUMAN DIHYDROOROTATE DEHYDROGENASE; DRUG in [Lu, Kuan; Zhao, Yanfang; Wu, Guodong; Hu, Hao; Jiang, Yuyang] Shenyang Pharmaceut Univ, Dept Pharmaceut Engn, Shenyang 110016, Liaoning, Peoples R China; [Lu, Kuan; Wang, Mingzhong] Sherushen Kivita Innovat Drug Discovery Inst, Sherushen 518057, Peoples R China; [Jiang, Yuyang] Tsinghua Univ, Natl & Local United Engn Lab Personalised Antitum, Grad Sch Shenshen, Shenzhen 518055, Peoples R China; [Jiang, Yuyang] Tsinghua Univ, Dept Pharmacol & Pharmaceut Sci, Sch Med, Beijing 100084, Peoples R China; [Gong, Guowei] Zunyi Med Univ, Dept Bioengn, Zhuhai Campus, Zhuhai 519041, Guangdong, Peoples R China in 2019, Cited 17. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Application In Synthesis of 3-(Trifluoromethyl)phenol

Human dihydroorotate dehydrogenase (hDHODH) is a flavin-dependent enzyme essential to pyrimidine de novo biosynthesis, which serves as an attractive therapeutic target for the treatment of autoimmune disorders. A novel series of hDHODH inhibitors was developed based on a lead which was obtained by a medicinal chemistry exploration. Most compounds showed moderate to significant potency against hDHODH, compounds 5d, 5e, and 6a effectively inhibited the activities of hDHODH with IC50 values from 0.9 to 2.8 mu M. Further studies showed that compound 5e also effectively suppressed proliferation of the activated PBMCs (IC50 = 20.35 mu M). Surprisingly, compound 5e also showed anti-pulmonary fibrotic activity similar to that of pirfenidone in vitro assay. Therefore, compound 5e might have potential to be developed as a novel hDHODH inhibitors for auto-immune diseases therapy.

Application In Synthesis of 3-(Trifluoromethyl)phenol. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Lu, K; Zhao, YF; Wu, GD; Hu, H; Wang, MZ; Gong, GW; Jiang, YY or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Regioselectivity of Hydroxyl Radical Reactions with Arenes in Nonaqueous Solutions WOS:000461844000022 published article about HOMOLYTIC AROMATIC-SUBSTITUTION; GAS-PHASE REACTIONS; LASER FLASH-PHOTOLYSIS; SET MODEL CHEMISTRY; ORGANIC-COMPOUNDS; RATE CONSTANTS; INORGANIC RADICALS; CENTERED RADICALS; OH RADICALS; KINETICS in [Moores, Lee C.; Kaur, Devinder; Smith, Mathew D.; Poole, James S.] Ball State Univ, Dept Chem, Muncie, IN 47306 USA; [Poole, James S.] St Cloud State Univ, Dept Chem & Biochem, St Cloud, MN 56301 USA in 2019, Cited 77. Formula: C7H5F3O. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

The regioselectivity of hydroxyl radical addition to arenes was studied using a novel analytical method capable of trapping radicals formed after the first elementary step of reaction, without alteration of the product distributions by secondary oxidation processes. Product analyses of these reactions indicate a preference for o- over p-substitution for electron donating groups, with both favored over m-addition. The observed distributions are qualitatively similar to those observed for the addition of other carbon-centered radicals, although the magnitude of the regioselectivity observed is greater for hydroxyl. The data, reproduced by high accuracy CBS-QB3 computational methods, indicate that both polar and radical stabilization effects play a role in the observed regioselectivities. The application and potential limitations of the analytical method used are discussed.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Moores, LC; Kaur, D; Smith, MD; Poole, JS or concate me.. Formula: C7H5F3O

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Regioselective Monobromination of Phenols with KBr and ZnAl-BrO3–Layered Double Hydroxides published in 2020. Recommanded Product: 98-17-9, Reprint Addresses Wang, LG; Hu, J (corresponding author), Zhejiang Univ Technol, Coll Chem Engn, Hangzhou 310004, Peoples R China.. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol

The regioselective mono-bromination of phenols has been successfully developed with KBr and ZnAl-BrO3–layered double hydroxides (abbreviated as ZnAl-BrO3–LDHs) as brominating reagents. The para site is much favorable and the ortho site takes the priority if para site is occupied. This reaction featured with excellent regioselectivity, cheap brominating reagents, mild reaction condition, high atom economy, broad substrate scope, and provided an efficient method to synthesize bromophenols.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Wang, LG; Feng, C; Zhang, Y; Hu, J or concate me.. Recommanded Product: 98-17-9

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Synthesis and antiviral effect of novel fluoxetine analogues as enterovirus 2C inhibitors WOS:000540343900005 published article about POLIOVIRUS; REPLICATION; PROTEIN; ATPASE; CLASSICS; MOTIF in [Manganaro, Roberto; Zonsics, Birgit; Lopez, Moira Lorenzo; Saporito, Fabiana; Ferla, Salvatore; Brancale, Andrea] Cardiff Univ, Sch Pharm & Pharmaceut Sci, King Edward VII Ave, Cardiff CF10 3NB, Wales; [Bauer, Lisa; Donselaar, Tim; Zwaagstra, Marleen; Strating, Jeroen R. P. M.; Hurdiss, Daniel L.; van Kuppeveld, Frank J. M.] Univ Utrecht, Fac Vet Med, Dept Infect Dis & Immunol, Virol Div, NL-3584 CL Utrecht, Netherlands; [Coutard, Bruno] UVE Aix Marseille Univ, Inserm 1207, IHU Mediterranee Infect, Unite Virus Emergents,IRD 190, Marseille, France; [Coutard, Bruno] Aix Marseille Univ, CNRS, AFMB UMR 7257, Marseille, France in 2020, Cited 24. Formula: C7H5F3O. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

Enteroviruses (EV) are a group of positive-strand RNA ( + RNA) viruses that include many important human pathogens (e.g. poliovirus, coxsackievirus, echovirus, numbered enteroviruses and rhinoviruses). Fluoxetine was identified in drug repurposing screens as potent inhibitor of enterovirus B and enterovirus D replication. In this paper we are reporting the synthesis and the antiviral effect of a series of fluoxetine analogues. The results obtained offer a preliminary insight into the structure-activity relationship of its chemical scaffold and confirm the importance of the chiral configuration. We identified a racemic fluoxetine analogue, 2b, which showed a similar antiviral activity compared to (S)-fluoxetine. Investigating the stereochemistry of 2b revealed that the Senantiomer exerts potent antiviral activity and increased the antiviral spectrum compared to the racemic mixture of 2b. In line with the observed antiviral effect, the Senantiomer displayed a dose-dependent shift in the melting temperature in thermal shift assays, indicative for direct binding to the recombinant 2C protein.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Manganaro, R; Zonsics, B; Bauer, L; Lopez, ML; Donselaar, T; Zwaagstra, M; Saporito, F; Ferla, S; Strating, JRPM; Coutard, B; Hurdiss, DL; van Kuppeveld, FJM; Brancale, A or concate me.. Formula: C7H5F3O

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Computed Properties of C7H5F3O. Verma, PK; Prasad, KS; Varghese, D; Geetharani, K in [Verma, Piyush Kumar; Prasad, K. Sujit; Varghese, Dominic; Geetharani, K.] Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, Karnataka, India published Cobalt(I)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in 2020, Cited 61. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9.

A cobalt-complex-catalyzed borylation of a wide range of alkyl halides with a diboron reagent (B(2)pin(2) or B(2 )neop(2)) has been developed under mild reaction conditions, demonstrating the first cobalt-mediated cross-coupling with alkyl electrophiles. This protocol allows alkyl boronic esters to be accessed from alkyl halides, including alkyl chlorides, which were used rarely as coupling partners. Mechanistic studies reveal the possible involvement of an alkyl radical intermediate in this cobalt-mediated catalytic cycle.

Computed Properties of C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Verma, PK; Prasad, KS; Varghese, D; Geetharani, K or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Name: 3-(Trifluoromethyl)phenol. Pike, SJ; Lavagnini, E; Varley, LM; Cook, JL; Hunter, CA in [Pike, Sarah J.; Lavagnini, Ennio; Hunter, Christopher A.] Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England; [Varley, Lisa M.] Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England; [Cook, Joanne L.] Unilever R&D Port Sunlight, Quarry Rd East, Wirral CH63 3JW, Merseyside, England published H-Bond donor parameters for cations in 2019, Cited 70. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9.

UV/Vis absorption and NMR spectroscopy titrations have been used to investigate the formation of complexes between cations and neutral H-bond acceptors in organic solvents. Complexes formed by two different H-bond acceptors with fifteen different cations were studied in acetone and in acetonitrile. The effects of water and ion pairing with the counter-anion were found to be negligible in the two polar solvents employed for this study. The data were used to determine self-consistent H-bond donor parameters (a) for a series of organic and inorganic cations; guanidinium, primary, tertiary and quaternary ammonium, imidazolium, methylpyridinium, lithium, sodium, potassium, rubidium and caesium. The results demonstrate the transferability of a parameters for cations between different solvents and different H-bond acceptor partners, allowing reliable prediction of cation recognition properties in different environments. Lithium and protonated nitrogen cations form the most stable complexes, but the a parameter is only 5.0, which is similar to the neutral H-bond donor 3-trifluoromethyl, 4-nitrophenol (a 1/4 5.1). Quaternary ammonium is the weakest H-bond donor investigated with an a value of 2.7, which is comparable to an alcohol. The a parameters for alkali metal cations decrease down the group from 5.0 (Li+) to 3.5 (Cs+).

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Pike, SJ; Lavagnini, E; Varley, LM; Cook, JL; Hunter, CA or concate me.. Name: 3-(Trifluoromethyl)phenol

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

I found the field of Chemistry very interesting. Saw the article Amino-Acid-Mediated Aerobic Oxidation of Organoborons for the Synthesis of Phenolic Derivatives Using Single Electron Transfer published in 2020. COA of Formula: C7H5F3O, Reprint Addresses Malakar, CC (corresponding author), Natl Inst Technol Manipur, Dept Chem, Imphal 795004, Manipur, India.. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol

An efficient amino-acid-mediated ipso-hydroxylation of arylboronic acids, aryl boronate esters and aryl trifluoroborates to aryl alcohols has been described. The current protocol was realized by using sub-stoichiometric amount of l-histidine in presence of triethylamine under aerobic conditions in DMF as solvent. This amino-acid-mediated process provides an alternative route for the hydroxylation of organoborons through in situ generation of hydrogen peroxide. The present protocol explores the synthetic utility of amino acids as organocatalysts for the preparation of aryl alcohols. It was observed that l-histidine plays an important role for the conversion of aerial oxygen in to hydrogen peroxide via thermal excitation process followed by thermal degradation of Et3N. The developed approach holds good for a wide range of compounds with excellent yields and competent functional group tolerance.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Gujjarappa, R; Vodnala, N; Garg, A; Hazra, CK; Gupta, S; Malakar, CC or concate me.. COA of Formula: C7H5F3O

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Excellent antitumor and antimetastatic activities based on novel coumarin/pyrazole oxime hybrids WOS:000461402400039 published article about BIOLOGICAL EVALUATION; COUMARIN DERIVATIVES; MOLECULAR DOCKING; ANTICANCER ACTIVITY; PYRAZOLE; DESIGN; APOPTOSIS; POTENT; AGENTS; METASTASIS in [Dai, Hong; Huang, Meiling; Wang, Senling; Shi, Yujun; Yao, Yong; Ge, Shushan; Ling, Yong] Nantong Univ, Coll Chem & Chem Engn, Nantong 226019, Peoples R China; [Dai, Hong; Huang, Meiling; Qian, Jianqiang; Liu, Ji; Meng, Chi; Li, Yangyang; Ming, Guxu; Zhang, Ting; Ge, Shushan; Zhang, Yanan; Ling, Yong] Nantong Univ, Sch Pharm, Nantong 226001, Peoples R China; [Qian, Jianqiang; Liu, Ji; Meng, Chi; Li, Yangyang; Ming, Guxu; Zhang, Ting; Zhang, Yanan; Ling, Yong] Nantong Univ, Jiangsu Prov Key Lab Inflammat & Mol Drug Target, Nantong 226001, Peoples R China in 2019, Cited 49. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Application In Synthesis of 3-(Trifluoromethyl)phenol

A series of hybrids 10a-v based on coumarin/pyrazole oxime have been synthesized, and exhibit good to excellent antitumor activities. Compound 10n has shown remarkable anticancer effect on SMMC-7721 cells (IC50 = 2.08 mu M), which is considerably lower than 5-FU (IC50 = 37.8 mu M) and similar to ADM (IC50 = 2.67 mu M), with little effect on normal hepatic cells LO2. Notably, the suppression experiments of metastatic activities reveal that 10n also displays significant anti-metastasis effects through inhibiting cell migration and invasion in highly metastatic SMMC-7721 cell line, and dose-dependently reverses TGF-beta 1-induced epithelial-mesenchymal transition (EMT) procedure better than ADM. Finally, 10n also possesses low acute toxicity and potent tumor growth inhibitory property against SMMC-7721 cell lines in vivo. Our findings suggest that novel coumarin/pyrazole oxime hybrids are promising therapeutic agent candidates for further research. (C) 2019 Elsevier Masson SAS. All rights reserved.

Application In Synthesis of 3-(Trifluoromethyl)phenol. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Dai, H; Huang, ML; Qian, JQ; Liu, J; Meng, C; Li, YY; Ming, GX; Zhang, T; Wang, SL; Shi, YJ; Yao, Y; Ge, SS; Zhang, YN; Ling, Y or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Synthesis and antiviral effect of novel fluoxetine analogues as enterovirus 2C inhibitors WOS:000540343900005 published article about POLIOVIRUS; REPLICATION; PROTEIN; ATPASE; CLASSICS; MOTIF in [Manganaro, Roberto; Zonsics, Birgit; Lopez, Moira Lorenzo; Saporito, Fabiana; Ferla, Salvatore; Brancale, Andrea] Cardiff Univ, Sch Pharm & Pharmaceut Sci, King Edward VII Ave, Cardiff CF10 3NB, Wales; [Bauer, Lisa; Donselaar, Tim; Zwaagstra, Marleen; Strating, Jeroen R. P. M.; Hurdiss, Daniel L.; van Kuppeveld, Frank J. M.] Univ Utrecht, Fac Vet Med, Dept Infect Dis & Immunol, Virol Div, NL-3584 CL Utrecht, Netherlands; [Coutard, Bruno] UVE Aix Marseille Univ, Inserm 1207, IHU Mediterranee Infect, Unite Virus Emergents,IRD 190, Marseille, France; [Coutard, Bruno] Aix Marseille Univ, CNRS, AFMB UMR 7257, Marseille, France in 2020, Cited 24. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Formula: C7H5F3O

Enteroviruses (EV) are a group of positive-strand RNA ( + RNA) viruses that include many important human pathogens (e.g. poliovirus, coxsackievirus, echovirus, numbered enteroviruses and rhinoviruses). Fluoxetine was identified in drug repurposing screens as potent inhibitor of enterovirus B and enterovirus D replication. In this paper we are reporting the synthesis and the antiviral effect of a series of fluoxetine analogues. The results obtained offer a preliminary insight into the structure-activity relationship of its chemical scaffold and confirm the importance of the chiral configuration. We identified a racemic fluoxetine analogue, 2b, which showed a similar antiviral activity compared to (S)-fluoxetine. Investigating the stereochemistry of 2b revealed that the Senantiomer exerts potent antiviral activity and increased the antiviral spectrum compared to the racemic mixture of 2b. In line with the observed antiviral effect, the Senantiomer displayed a dose-dependent shift in the melting temperature in thermal shift assays, indicative for direct binding to the recombinant 2C protein.

Formula: C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Manganaro, R; Zonsics, B; Bauer, L; Lopez, ML; Donselaar, T; Zwaagstra, M; Saporito, F; Ferla, S; Strating, JRPM; Coutard, B; Hurdiss, DL; van Kuppeveld, FJM; Brancale, A or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles