64285-95-6

Usage

Uses

Used in Organic Synthesis:
4-(Trifluoromethoxy)phenyl isothiocyanate is utilized as a reagent in organic synthesis for the preparation of a variety of chemical compounds. Its unique structure allows for the formation of diverse molecular architectures, contributing to the advancement of chemical libraries.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4-(Trifluoromethoxy)phenyl isothiocyanate is employed as a building block for the synthesis of biologically active molecules. Its incorporation into drug candidates can potentially enhance their pharmacological properties, such as potency, selectivity, and bioavailability.
Used in Peptide Library Synthesis:
4-(Trifluoromethoxy)phenyl isothiocyanate is used as a reagent in the synthesis of peptide libraries. Its application facilitates the exploration of peptide-based therapeutics and the discovery of new bioactive peptides with specific targeting or regulatory functions.
Used in Drug Development:
4-(Trifluoromethoxy)phenyl isothiocyanate has been studied for its potential use in the development of new drugs. Its unique chemical properties may contribute to the creation of innovative pharmaceutical agents with improved therapeutic profiles.
Used in Agrochemical Development:
4-(Trifluoromethoxy)phenyl isothiocyanate is also being investigated for its potential in the development of agrochemicals. Its incorporation into agrochemical products could lead to the discovery of new pesticides or herbicides with enhanced efficacy and selectivity.
Used in Antimicrobial Applications:
4-(Trifluoromethoxy)phenyl isothiocyanate has been explored for its antimicrobial properties, suggesting its potential use in the development of new antimicrobial agents to combat resistant bacterial strains.
Used in Anticancer Research:
4-(Trifluoromethoxy)phenyl isothiocyanate has been investigated for its potential anticancer properties. Its application in this field could lead to the development of novel anticancer drugs with unique mechanisms of action.

InChI:InChI=1/C8H4F3NO2S/c9-8(10,11)14-6-1-3-7(4-2-6)15-12-5-13/h1-4H

Upstream product

• 461-82-5 4-(trifluoromethoxy)aniline 
• 16420-13-6 N,N-Dimethylthiocarbamoyl chloride 
• 96989-50-3 di-2-pyridyl thionocarbonate 
• 463-71-8 thiophosgene 

Downstream Products

• 1383478-80-5 C₂₆H₂₅F₃N₂O₂S 
• 1412891-60-1 N-methyl-4-(3-(3-(4-(trifluoromethoxy)phenyl)thioureido)phenoxy)picolinamide 
• 1412891-61-2 N-isopropyl-4-(3-(3-(4-(trifluoromethoxy)phenyl)thioureido)phenoxy)picolinamide 
• 1412891-62-3 N-benzyl-4-(3-(3-(4-(trifluoromethoxy)phenyl)thioureido)phenoxy)picolinamide 
• 1412891-63-4 1-(3-((2-(pyrrolidine-1-carbonyl)pyridin-4-yl)oxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)thiourea 

Relevant academic research and scientific papers

Synthesis of N-CF3Alkynamides and Derivatives Enabled by Ni-Catalyzed Alkynylation of N-CF3Carbamoyl Fluorides

The expansion of chemical space associated with ubiquitous motifs is key to unleash new properties and functions. In this context, alkynamides, prevalent in numerous drugs and materials, represent an untapped resource. We herein report the first synthetic access to N-trifluoromethyl alkynamides. Our strategy relies on a mild and operationally simple Ni-catalyzed coupling of N-CF3 carbamoyl fluorides with alkynyl silanes. The synthesized N-CF3 alkynamides proved to be highly robust and readily functioned as a platform to unlock access to valuable derivatives, such as N-CF3 decorated alkenyl amides, oxindoles, or quinolones, all of which were inaccessible to date.

N-Trifluoromethyl Hydrazines, Indoles and Their Derivatives

Reported herein is the first efficient strategy to synthesize a broad range of unsymmetrical N-CF3 hydrazines, which served as platform to unlock numerous currently inaccessible derivatives, such as tri- and tetra-substituted N-CF3 hydrazines, hydrazones, sulfonyl hydrazines, and valuable N-CF3 indoles. These compounds proved to be remarkably robust, being compatible with acids, bases, and a wide range of synthetic manipulations. The feasibility of RN(CF3)-NH2 to function as a directing group in C?H functionalization is also showcased.

A block containing nicotinamide diphenyl thiourea compound and its salt preparation method and use of

The invention relates to a diphenyl thiourea compound containing niacinamide building blocks and salt of the diphenyl thiourea compound. The chemical structure of the diphenyl thiourea compound is as shown in the description. The diphenyl thiourea compound and the salt, pharmaceutically acceptable, of the diphenyl thiourea compound have inhibiting effects on various tumour cell strains and can serve as effective components for preparing tumour treatment medicine.

The structure of the amine-containing thiourea compound and its preparation method and application

A disclosed thiourea compounds containing an arylamine structure comprises compounds of a general formula I and pharmaceutically acceptable salts. In the general formula I shown in the specification, R1 is selected from H, C1-C8 alkyl, halogens, -CF3, -OCF3, -NO2, -CN, R2O-, -SO2NH2, -NHSO2R3, -NR4R5, -CONR6R7, -COOR8, R9CO- and disubstituted and trisubstituted combinations thereof, R2, R3, R4, R5, R6, R7, R8 and R9 are respectively H or C1-C8 alkyl, L is selected from -NHR10, -NHOR11, -NR12R13, pyrrolidin-1-yl, 4-piperidyl and (4-methyl-1-piperazinyl)methylene, and R10, R11, R12 and R13 are respectively H, C1-C8 alkyl, cycloalkyl or aryl. The compounds have inhibiting effect on multiple tumor cell strains.

Pyrazolopyrimidines: Potent Inhibitors Targeting the Capsid of Rhino- and Enteroviruses

There are currently no drugs available for the treatment of enterovirus (EV)-induced acute and chronic diseases such as the common cold, meningitis, encephalitis, pneumonia, and myocarditis with or without consecutive dilated cardiomyopathy. Here, we report the discovery and characterization of pyrazolopyrimidines, a well-tolerated and potent class of novel EV inhibitors. The compounds inhibit the replication of a broad spectrum of EV in vitro with IC50 values between 0.04 and 0.64 μM for viruses resistant to pleconaril, a known capsid-binding inhibitor, without affecting cytochrome P450 enzyme activity. Using virological and genetics methods, the viral capsid was identified as the target of the most promising, orally bioavailable compound 3-(4-trifluoromethylphenyl)amino-6-phenylpyrazolo[3,4-d]pyrimidine-4-amine (OBR-5-340). Its prophylactic as well as therapeutic application was proved for coxsackievirus B3-induced chronic myocarditis in mice. The favorable pharmacokinetic, toxicological, and pharmacodynamics profile in mice renders OBR-5-340 a highly promising drug candidate, and the regulatory nonclinical program is ongoing. Curing the common cold! A cluster of pyrazolopyrimidines with potent broad-spectrum activity against enteroviruses was discovered. Extensive structure-property relationship analyses led to the identification of 3-(4-trifluoromethyl-phenyl)amino-6-phenylpyrazolo[3,4-d]pyrimidine-4-amine, shown to be a blocker of the viral capsid protein, as a lead compound for drug development with favorable physicochemical, pharmacokinetic, and toxicological properties.

Design, synthesis and biological evaluation of thiourea and nicotinamide-containing sorafenib analogs as antitumor agents

A series of thiourea and nicotinamide-containing sorafenib analogs (7a-n) were designed and synthesized and their antiproliferative activities were tested against HCT116, MDA-MB-231, PC-3 and HepG2 cell lines. Most of the compounds showed potent activities against the four cell lines, compound 7h showed better activities than sorafenib against all four cell lines, and compounds 7a and 7e showed better activities against HCT116 and MDA-MB-231 cell lines. The anti-angiogenic activities of 7e and 7h were also better than that of sorafenib in both in vitro HUVEC tube formation assay and ex vivo rat thoracic aorta ring assay.

Synthesis, characterization, and biological evaluation of some novel thiosemicarbazones as possible antibacterial and antioxidant agents

The synthesis and characterization of 18 novel thiosemicarbazones have been investigated as part of a research program on development of compounds with antibacterial and antioxidant activities. Among the tested compounds, 2-(4-hydroxybenzylidene)-N-[4-(tr

Thiourea and thioether derivatives of sorafenib: Synthesis, crystal structure, and antiproliferative activity

A series of novel sorafenib derivatives containing diaryl thiourea and thioether, 9a-u, was designed and synthesized, and their antiproliferative activities against HCT116 and MDA-MB-231 cell lines were also evaluated and described. Most compounds exhibited potent antiproliferative activity against HCT116 cells with IC50 = 1.8-80.4 μM. Compounds 9p, 9r, and 9s demonstrated competitive antiproliferative activities to sorafenib, against all two cancer cell lines. The structures of all the newly synthesized compounds were determined by 1H NMR, 13C NMR, and HRMS, and compound 9n was characterized by single-crystal X-ray diffraction. Primary structure-activity relationships (SAR) have also been established.

Synthesis and SAR of selective small molecule neuropeptide y Y2 receptor antagonists

Highly potent and selective small molecule neuropeptide Y Y2 receptor antagonists are reported. The systematic SAR exploration of a hit molecule N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide, identified from HTS, led to the discovery of highly potent NPY Y2 antagonists 16 (CYM 9484) and 54 (CYM 9552) with IC50 values of 19 nM and 12 nM respectively.

Design, synthesis and biological activities of sorafenib derivatives as antitumor agents

A series of novel sorafenib derivatives, 9a-w, was designed and synthesized in high yields using various substituted anilines, and their antiproliferative activities against HCT116, PC-3 and MDA-MB-231 cell lines were also evaluated and described. All compounds exhibited potent antiproliferative activity against HCT116 and PC-3 cells with IC50 = 2.8-52.0 and 2.2-45.6 μM; compounds 9p and 9q demonstrated competitive antiproliferative activities to sorafenib against all three cancer cell lines, the cytotoxicity of compound 9r is more potent than that of sorafenib. Compounds (9g, 9p, 9q and 9r) were chosen for further evaluation of the anti-angiogenesis activity, and showed the inhibition of sprout formation from aortic ring ex vivo. The structures of all the newly synthesized compounds were determined by 1H NMR, 13C NMR and HRMS.