Category: 98-17-9

An article A Thieno[2,3-d]pyrimidine Scaffold Is a Novel Negative Allosteric Modulator of the Dopamine D-2 Receptor WOS:000455561400011 published article about LIGAND DISCOVERY; D-3; PHARMACOLOGY; SELECTIVITY; INHIBITORS; SB269652; D2 in [Fyfe, Tim J.; Scammells, Peter J.; Capuano, Ben] Monash Univ, Med Chem, Monash Inst Pharmaceut Sci, Parkville, Vic 3052, Australia; [Fyfe, Tim J.; Lim, Herman D.; Lane, J. Robert] Monash Univ, Monash Inst Pharmaceut Sci, Drug Discovery Biol, Parkville, Vic 3052, Australia; [Fyfe, Tim J.; Kellam, Barrie; Mistry, Shailesh N.] Univ Nottingham, Ctr Biomol Sci, Sch Pharm, Nottingham NG7 2RD, England; [Zarzycka, Barbara; Katrich, Vsevolod] Univ Southern Calif, Bridge Inst, Dept Biol Sci, Los Angeles, CA 90089 USA; [Katrich, Vsevolod] Univ Southern Calif, Bridge Inst, Dept Chem, Los Angeles, CA 90089 USA in 2019, Cited 41. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Name: 3-(Trifluoromethyl)phenol

Recently, a novel negative allosteric modulator (NAM) of the D-2-like dopamine receptors 1 was identified through virtual ligand screening. This ligand comprises a thieno[2,3-d]pyrimidine scaffold that does not feature in known dopaminergic ligands. Herein, we provide pharmacological validation of an allosteric mode of action for 1, revealing that it is a NAM of dopamine efficacy and identify the structural determinants of this allostery. We find that key structural moieties are important for functional affinity and negative cooperativity, while functionalization of the thienopyrimidine at the 5- and 6-positions results in analogues with divergent cooperativity profiles. Successive compound iterations have yielded analogues exhibiting a 10-fold improvement in functional affinity, as well as enhanced negative cooperativity with dopamine affinity and efficacy. Furthermore, our study reveals a fragment-like core that maintains low mu M affinity and robust negative cooperativity with markedly improved ligand efficiency.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Fyfe, TJ; Zarzycka, B; Lim, HD; Kellam, B; Mistry, SN; Katrich, V; Scammells, PJ; Lane, JR; Capuano, B 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 Pharmacology & Pharmacy; Chemistry very interesting. Saw the article Design, Synthesis and Biological Evaluation of Novel Nonsteroidal Progesterone Receptor Antagonists Based on Phenylamino-1,3,5-triazine Scaffold published in 2019. Quality Control of 3-(Trifluoromethyl)phenol, Reprint Addresses Fujii, S (corresponding author), Univ Tokyo, Inst Quantitat Biosci, Bunkyo Ku, 1-1-1 Yayoi, Tokyo 1130032, Japan.; Fujii, S (corresponding author), Tokyo Med & Dent Univ, Inst Biomat & Bioengn, Chiyoda Ku, 2-3-10 Kanda Surugadai, Tokyo 1010062, Japan.. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol

We report here the development of phenylamino-1,3,5-triazine derivatives as novel nonsteroidal progesterone receptor (PR) antagonists. PR plays key roles in various physiological systems, including the female reproductive system, and PR antagonists are promising candidates for clinical treatment of multiple diseases. By using the phenylamino-1,3,5-triazine scaffold as a template structure, we designed and synthesized a series of 4-cyanophenylamino-1,3,5-triazine derivatives. The synthesized compounds exhibited PR antagonistic activity, and among them, compound 12n was the most potent (IC50 = 0.30 mu M); it also showed significant binding affinity to the PR ligand-binding domain. Docking simulation supported the design rationale of the compounds. Our results suggest that the phenylamino-1,3,5-triazine scaffold is a versatile template for development of nonsteroidal PR antagonists and that the developed compounds are promising lead compounds for further structural development of nonsteroidal PR antagonists.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Kaitoh, K; Nakatsu, A; Mori, S; Kagechika, H; Hashimoto, Y; Fujii, S or concate me.. Quality Control of 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

Authors Kutt, A; Tshepelevitsh, S; Saame, J; Lokov, M; Kaljurand, I; Selberg, S; Leito, I in WILEY-V C H VERLAG GMBH published article about in [Kutt, Agnes; Tshepelevitsh, Sofja; Saame, Jaan; Lokov, Mart; Kaljurand, Ivari; Selberg, Sigrid; Leito, Ivo] Univ Tartu, Inst Chem, Ravila 14a, EE-50411 Tartu, Estonia in 2021, Cited 77. Category: indole-building-block. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

The equilibrium acidity scale (pK(a) scale) in acetonitrile has been supplemented by numerous new compounds and new Delta pK(a) measurements. It now contains altogether 231 acids – over twice more than published previously – linked by 569 Delta pK(a) measurements and spans between the pK(a) values of hydrogen iodide (2.8) and indole (32.57), covering close to 30 orders of magnitude. Measurement results acquired over the last 15 years were added to the scale and new least-squares treatment was carried out. The treatment yielded revised pK(a) values for the compounds published previously, with the root mean square difference between revised and previous values 0.04, demonstrating very good stability of the scale. Correlation equations were developed for estimating pK(a) values for the studied types of compounds in water, DMSO, DMF, and 1,2-dichloroethane on the basis of pK(a) values in acetonitrile. These equations enable predicting pK(a) values with an average error around or less than 1 pK(a) unit, which is a sufficient accuracy for many applications. The scale is expected to be a useful tool for the widest possible research areas in organic chemistry, electrochemical power sources, catalysis, etc.

Category: indole-building-block. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Kutt, A; Tshepelevitsh, S; Saame, J; Lokov, M; Kaljurand, I; Selberg, S; Leito, I 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

In 2020 J AM CHEM SOC published article about BOND FORMATION; ALKYL-HALIDES; PHOTOREDOX; BORYLATION; COBALT; SIZE; DIBORYLMETHANE; NANOPARTICLES; CONSTRUCTION; CARBANIONS in [Zhang, Lumin; Si, Xiaojia; Rominger, Frank; Hashmi, A. Stephen K.] Heidelberg Univ, Organ Chem Inst, D-69120 Heidelberg, Germany; [Hashmi, A. Stephen K.] King Abdulaziz Univ KAU, Fac Sci, Chem Dept, Jeddah 21589, Saudi Arabia in 2020, Cited 67. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Computed Properties of C7H5F3O

Geminal diboronates have attracted significant attention because of their unique structures and reactivity. However, benzofuran-, indole-, and benzothiophene-based benzylic gem-diboronates, building blocks for biologically relevant compounds, are unknown. A promising protocol using visible light and aryl iodides for constructing valuable building blocks, including benzofuran-, indole-, and benzothiophene-based benzylic gem-diboronates, via radical carbo-cyclization/gem-diborylation of alkynes with a high functional group tolerance is presented. The utility of these gem-diboronates has been demonstrated by a 10 g scale conversion, by versatile transformations, by including the synthesis of approved drug scaffolds and two approved drugs, and even by polymer synthesis. The mechanistic investigation indicates that the merging of the dinuclear gold catalyst (photoexcitation by 315-400 nm UVA light) with Na2CO3 is directly responsible for photosensitization of aryl iodides (photoexcitation by 254 nm UV light) with blue LED light (410-490 nm, lambda(max) = 465 nm) through an energy transfer (EnT) process, followed by homolytic cleavage of the C-I bond in the aryl iodide substrates.

Computed Properties of C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Zhang, LM; Si, XJ; Rominger, F; Hashmi, ASK 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

Authors Mollasalehi, N; Francois-Moutal, L; Scott, DD; Tello, JA; Williams, H; Mahoney, B; Carlson, JM; Dong, Y; Li, XL; Miranda, VG; Gokhale, V; Wang, W; Barmada, SJ; Khanna, M in AMER CHEMICAL SOC published article about in [Mollasalehi, Niloufar; Francois-Moutal, Liberty; Scott, David D.; Tello, Judith A.; Williams, Haley; Carlson, Jacob M.; Miranda, Victor G.; Khanna, May] Univ Arizona, Coll Med, Dept Pharmacol, Tucson, AZ 85724 USA; [Mollasalehi, Niloufar; Francois-Moutal, Liberty; Scott, David D.; Tello, Judith A.; Williams, Haley; Carlson, Jacob M.; Miranda, Victor G.; Khanna, May] Ctr Innovat Brain Sci, Tucson, AZ 85721 USA; [Mollasalehi, Niloufar] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA; [Mahoney, Brendan] Univ Calif Los Angeles UCLA, Dept Chem & Biochem, Los Angeles, CA 90095 USA; [Dong, Yue; Wang, Wei] Univ Arizona, Coll Pharm, Arizona Ctr Drug Discovery, Tucson, AZ 85721 USA; [Dong, Yue; Wang, Wei] Univ Arizona, Coll Pharm, Pharmacol & Toxicol Dept, Tucson, AZ 85721 USA; [Li, Xingli; Barmada, Sami J.] Univ Michigan Hlth Syst, Dept Neurol, Ann Arbor, MI 48109 USA; [Gokhale, Vijay] Univ Arizona, Bio5 Inst, Tucson, AZ 85721 USA in 2020, Cited 23. Quality Control of 3-(Trifluoromethyl)phenol. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

In this study, we targeted the N-terminal domain (NTD) of transactive response (TAR) DNA binding protein (TDP-43), which is implicated in several neurodegenerative diseases. In silico docking of 50K compounds to the NTD domain of TDP-43 identified a small molecule (nTRD22) that is bound to the N-terminal domain. Interestingly, nTRD22 caused allosteric modulation of the RNA binding domain (RRM) of TDP-43, resulting in decreased binding to RNA in vitro. Moreover, incubation of primary motor neurons with nTRD22 induced a reduction of TDP-43 protein levels, similar to TDP-43 RNA binding-deficient mutants and supporting a disruption of TDP43 binding to RNA. Finally, nTRD22 mitigated motor impairment in a Drosophila model of amyotrophic lateral sclerosis. Our findings provide an exciting way of allosteric modulation of the RNA-binding region of TDP-43 through the N-terminal domain.

Quality Control of 3-(Trifluoromethyl)phenol. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Mollasalehi, N; Francois-Moutal, L; Scott, DD; Tello, JA; Williams, H; Mahoney, B; Carlson, JM; Dong, Y; Li, XL; Miranda, VG; Gokhale, V; Wang, W; Barmada, SJ; Khanna, M 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

SDS of cas: 98-17-9. In 2020 ACS OMEGA published article about ANTIFUNGAL ACTIVITY; DESIGN; PYRIMETHANIL; DERIVATIVES; INHIBITOR in [Deng, Xile; Zheng, Wenna; Jin, Can; Bai, Lianyang] Hunan Acad Agr Sci, Hunan Agr Biotechnol Res Inst, Key Lab Biol & Control Weeds, Changsha 410125, Peoples R China in 2020, Cited 68. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9.

Fenclorim is a commercial herbicide safener with fungicidal activity used for chloroacetanilide herbicides, which might be suitable as a lead compound for screening novel fungicides. However, little has been reported so far on the structure-activity relationship of fungicidal activities of fenclorim or its analogues. Here, a series of 4-chloro-6-substituted phenoxy-2-phenylpyrimidine derivatives was synthesized by a substructure splicing route using fenclorim as a lead compound. The structures of synthesized derivatives were characterized by H-1 NMR, C-13 NMR, and HRMS. Their fungicidal and herbicide safening activities were then evaluated. The results revealed that compound 11 had the best fungicidal activity against Sclerotinia sclerotiorum and Thanatephorus cucumeris, which was better than that of the control pyrimethanil. Moreover, compounds 3, 5, and 25 exhibited excellent safening activities against fresh weight, plant height, and root length, respectively. Such activities were significantly improved when compared to fenclorim. In summary, these findings look promising for the preparation of new fungicides and herbicide safeners based on the structure of fenclorim.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Deng, XL; Zheng, WN; Jin, C; Bai, LY or concate me.. SDS of cas: 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

In 2021 NAT CHEM published article about GENERAL STRATEGY; ACCESS in [Zhang, Fuhao; Zeng, Jingwen; Gao, Mohan; Wang, Linzhou; Chen, Gen-Qiang; Zhang, Xumu] Southern Univ Sci & Technol, Shenzhen Grubbs Inst, Shenzhen, Peoples R China; [Zhang, Fuhao; Zeng, Jingwen; Gao, Mohan; Wang, Linzhou; Chen, Gen-Qiang; Zhang, Xumu] Southern Univ Sci & Technol, Dept Chem, Shenzhen, Peoples R China; [Zhang, Fuhao; Lu, Yixin] Natl Univ Singapore, Dept Chem, Singapore, Singapore; [Chen, Gen-Qiang; Zhang, Xumu] Southern Univ Sci & Technol, Acad Adv Interdisciplinary Studies, Medi X, Shenzhen, Peoples R China in 2021, Cited 31. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Formula: C7H5F3O

Prostaglandins are among the most important natural isolates owing to their broad range of bioactivities and unique structures. However, current methods for the synthesis of prostaglandins suffer from low yields and lengthy steps. Here, we report a practicability-oriented synthetic strategy for the enantioselective and divergent synthesis of prostaglandins. In this approach, the multiply substituted five-membered rings in prostaglandins were constructed via the key enyne cycloisomerization with excellent selectivity (>20:1 d.r., 98% e.e.). The crucial chiral centre on the scaffold of the prostaglandins was installed using the asymmetric hydrogenation method (up to 98% yield and 98% e.e.). From our versatile common intermediates, a series of prostaglandins and related drugs could be produced in two steps, and fluprostenol could be prepared on a 20-gram scale.

Formula: C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Zhang, FH; Zeng, JW; Gao, MH; Wang, LZ; Chen, GQ; Lu, YX; Zhang, XM 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. In 2019 J ORG CHEM published article about MEISENHEIMER COMPLEX-FORMATION; PHENOXIDE ION; SOFT ACIDS; NUCLEOPHILIC-ADDITION; ARYLOXIDE IONS; BASES HSAB; ALKYLATION; CARBON; KINETICS; OXYGEN in [Mayer, Robert J.; Breugst, Martin; Hampel, Nathalie; Ofial, Armin R.; Mayr, Herbert] Ludwig Maximilians Univ Munchen, Dept Chem, Butenandtstr 5-13, D-81377 Munich, Germany; [Breugst, Martin] Univ Cologne, Dept Chem Organ Chem, Greinstr 4, D-50939 Cologne, Germany in 2019, Cited 86. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9.

Prompted by the observation that the regioselectivities of phenolate reactions (C versus O attack) are opposite to the predictions by the principle of hard and soft acids and bases, we performed a comprehensive experimental and computational investigation of phenolate reactivities. Rate and equilibrium constants for the reactions of various phenolate ions with benzhydrylium ions (Aryl(2)CH(+)) and structurally related quinone methides have been determined photometrically in polar aprotic solvents. Quantum chemical calculations at the SMD(MeCN)/M06-2X/6-31+G(d,p) level confirmed that O attack is generally favored under kinetically controlled conditions, whereas C attack is favored under thermodynamically controlled conditions. Exceptions are diffusion limited reactions with strong electrophiles, which give mixtures of products arising from O and C attack, as well as reactions with metal alkoxides in nonpolar solvents, where oxygen attack is blocked by strong ion pairing. The Lewis basicity (LB) and nucleophilicity (N, s(N)) parameters of phenolates determined in this work can be used to predict whether their reactions with electrophiles are kinetically or thermodynamically controlled and whether the rates are activation-or diffusion-limited. Comparison of the measured rate constants for the reactions of phenolates with carbocations with the Gibbs energies for single electron transfer manifests that these reactions proceed via polar mechanisms.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Mayer, RJ; Breugst, M; Hampel, N; Ofial, AR; Mayr, H 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

An article Cellulose as recyclable organocatalyst for ipso-hydroxylation of arylboronic acids WOS:000488141200007 published article about EFFICIENT HETEROGENEOUS CATALYST; OXIDATIVE HYDROXYLATION; ANTIOXIDANT ACTIVITY; PHENOLIC-COMPOUNDS; GREEN; NANOPARTICLES; METAL; MILD; CONVERSION; SOLVENTS in [Laskar, Khairujjaman; Paul, Subham; Bora, Utpal] Tezpur Univ, Dept Chem Sci, Napaam 784028, Assam, India in 2019, Cited 43. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Recommanded Product: 3-(Trifluoromethyl)phenol

Cellulose catalyzed oxidative hydroxylation of aryl and hetero-arylboronic acids to the corresponding phenols under metal and base free strategy has been demonstrated. The sustainable ipso-hydroxylation takes place using hydrogen peroxide as an oxidant in water under mild condition in shorter period of time. Interestingly, easy recovery and reusability of heterogeneous catalyst without significant loss in catalytic yield makes the protocol environmentally benign. (C) 2019 Elsevier Ltd. All rights reserved.

Recommanded Product: 3-(Trifluoromethyl)phenol. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Laskar, K; Paul, S; Bora, U 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 Formal Aniline Synthesis from Phenols through Deoxygenative N-Centered Radical Substitution WOS:000499915700010 published article about NICKEL-CATALYZED AMINATION; CROSS-COUPLING REACTIONS; LONG-LIVED CATALYSTS; ONE-POT CONVERSION; C-H AMINATION; ARYL MIGRATION; AROMATIC-COMPOUNDS; METAL; CLEAVAGE; COPPER in [Lardy, Samuel W.; Luong, Kristine C.; Schmidt, Valerie A.] Univ Calif San Diego, Dept Chem & Biochem, 9500 Gilman Dr, La Jolla, CA 92093 USA in 2019, Cited 75. Quality Control of 3-(Trifluoromethyl)phenol. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

Phenolic, lignin-derived substrates have emerged as desirable biorenewable chemical feedstocks for coupling reactions. A radical-mediated conversion of phenol derivatives to anilines is reported, using unfunctionalized hydroxamic acids as the N-centered radical source. The applicability of this triethyl phosphite mediated O-atom transfer approach, which tolerates a range of steric and electronic demands to naturally occurring phenols and lignin models, has been demonstrated in this work to access the corresponding aniline derivatives.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Lardy, SW; Luong, KC; Schmidt, VA or concate me.. Quality Control of 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