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4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZOIC ACID, with the molecular formula C14H9F3O3, is a white crystalline powder characterized by a melting point of 220-222°C. This chemical compound serves as a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Additionally, it is utilized as an intermediate in the production of various dyes and pigments. It exhibits solubility in organic solvents such as methanol, acetone, and ethyl acetate, while remaining insoluble in water. Due to its potential to cause irritation to the skin, eyes, and respiratory system, careful handling is advised.

78161-82-7

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78161-82-7 Usage

Uses

Used in Pharmaceutical Industry:
4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZOIC ACID is used as a building block for the synthesis of various pharmaceuticals, contributing to the development of new drugs and improving existing ones.
Used in Agrochemical Industry:
In the agrochemical sector, 4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZOIC ACID is employed as a key component in the creation of agrochemicals, enhancing crop protection and yield.
Used in Dye and Pigment Production:
4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZOIC ACID is used as an intermediate in the production of dyes and pigments, playing a crucial role in the coloration of various materials and products.
Used in Organic Compound Synthesis:
4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZOIC ACID is utilized as a versatile building block in the synthesis of a wide range of organic compounds, expanding the scope of chemical research and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 78161-82-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,1,6 and 1 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 78161-82:
(7*7)+(6*8)+(5*1)+(4*6)+(3*1)+(2*8)+(1*2)=147
147 % 10 = 7
So 78161-82-7 is a valid CAS Registry Number.

78161-82-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[4-(trifluoromethyl)phenoxy]benzoic acid

1.2 Other means of identification

Product number -
Other names 4PBD-Q07-0

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:78161-82-7 SDS

78161-82-7Relevant academic research and scientific papers

Beyond Basicity: Discovery of Nonbasic DENV-2 Protease Inhibitors with Potent Activity in Cell Culture

Kühl, Nikos,Leuthold, Mila M.,Behnam, Mira A. M.,Klein, Christian D.

, p. 4567 - 4587 (2021/05/06)

The viral serine protease NS2B-NS3 is one of the promising targets for drug discovery against dengue virus and other flaviviruses. The molecular recognition preferences of the protease favor basic, positively charged moieties as substrates and inhibitors, which leads to pharmacokinetic liabilities and off-target interactions with host proteases such as thrombin. We here present the results of efforts that were aimed specifically at the discovery and development of noncharged, small-molecular inhibitors of the flaviviral proteases. A key factor in the discovery of these compounds was a cellular reporter gene assay for the dengue protease, the DENV2proHeLa system. Extensive structure-activity relationship explorations resulted in novel benzamide derivatives with submicromolar activities in viral replication assays (EC50 0.24 μM), selectivity against off-target proteases, and negligible cytotoxicity. This structural class has increased drug-likeness compared to most of the previously published active-site-directed flaviviral protease inhibitors and includes promising candidates for further preclinical development.

Synthesis and structure–activity relationship of N-(piperidin-4-yl)benzamide derivatives as activators of hypoxia-inducible factor 1 pathways

Huang, Zhi-Ning,Liang, Han,Qiao, Hong,Wang, Bao-Rui,Qu, Ning,Li, Hua,Zhou, Run-Run,Wang, Li-Juan,Li, Shan-Hua,Li, Fu-Nan

, p. 1149 - 1161 (2018/07/21)

Guided by bioisosterism and pharmacokinetic parameters, we designed and synthesized a series of novel benzamide derivatives. Preliminary in vitro studies indicated that compounds 10b and 10j show significant inhibitory bioactivity in HepG2 cells (IC50 values of 0.12 and 0.13?μM, respectively). Compounds 10b and 10j induced the expression of HIF-1α protein and downstream target gene p21, and upregulated the expression of cleaved caspase-3 to promote tumor cells apoptosis.

Probing the Azaaurone Scaffold against the Hepatic and Erythrocytic Stages of Malaria Parasites

Carrasco, Marta P.,Machado, Marta,Gon?alves, Lídia,Sharma, Moni,Gut, Jiri,Lukens, Amanda K.,Wirth, Dyann F.,André, Vania,Duarte, Maria Teresa,Guedes, Rita C.,dos Santos, Daniel J. V. A.,Rosenthal, Philip J.,Mazitschek, Ralph,Prudêncio, Miguel,Moreira, Rui

, p. 2194 - 2204 (2016/10/19)

The potential of azaaurones as dual-stage antimalarial agents was investigated by assessing the effect of a small library of azaaurones on the inhibition of liver and intraerythrocytic lifecycle stages of the malaria parasite. The whole series was screened against the blood stage of a chloroquine-resistant Plasmodium falciparum strain and the liver stage of P. berghei, yielding compounds with dual-stage activity and sub-micromolar potency against erythrocytic parasites. Studies with genetically modified parasites, using a phenotypic assay based on the P. falciparum Dd2-ScDHODH line, which expresses yeast dihydroorotate dehydrogenase (DHODH), showed that one of the azaaurone derivatives has the potential to inhibit the parasite mitochondrial electron-transport chain. The global urgency in finding new therapies for malaria, especially against the underexplored liver stage, associated with chemical tractability of azaaurones, warrants further development of this chemotype. Overall, these results emphasize the azaaurone chemotype as a promising scaffold for dual-stage antimalarials.

Evaluation of Novel N-(piperidine-4-yl)benzamide Derivatives as Potential Cell Cycle Inhibitors in HepG2 Cells

Hou, Jin,Zhao, Wei,Huang, Zhi-Ning,Yang, Shao-Mei,Wang, Li-Juan,Jiang, Yu,Zhou, Zhong-Shi,Zheng, Man-Yi,Jiang, Ji-Li,Li, Shan-Hua,Li, Fu-Nan

, p. 223 - 231 (2015/11/24)

In this study, a series of novel N-(piperidine-4-yl)benzamide derivatives was designed, synthesized, and evaluated for antitumor activity. Some compounds were found to have potent antitumor activity. In particular, compound 47 showed the most potent biological activity against HepG2 cells, with an IC50 value of 0.25 μm. Western blot analysis demonstrated that compound 47 inhibited the expression of cyclin B1 and p-Rb and enhanced the expression of p21, p53, Rb, and phospho-adenosine monophosphate-activated protein kinase (p-AMPK). Further, cell cycle arrest was observed by flow cytometry (FCM). In summary, compound 47 was screened to have potential activity for the treatment of hepatocarcinoma via the induction of cell cycle arrest by a p53/p21-dependent pathway.

Synthesis of diaryl ethers, diaryl sulfides, heteroaryl ethers and heteroaryl sulfides under microwave dielectric heating

Li, Feng,Meng, Qingqing,Chen, Huansheng,Li, Zhiming,Wang, Quanrui,Tao, Fenggang

, p. 1305 - 1313 (2007/10/03)

This paper describes the synthesis of diaryl ethers and sulfides by utilizing microwave heating methodology. The methodology is shown to be rapid and efficient for the coupling of phenols or thiophenol with electron-deficient aryl halides through a SNAr reaction. The scope of the protocol can be expanded to six-membered heterocycles bearing a hydroxyl group as well as to the reaction of 2-pyrimidinethiol with mildly activated aryl halides, providing heteroaryl ethers and sulfides, respectively. The advantages of the present method include the wide substrate scope, the obviation of metal catalysts, ease of product isolation, and high purity of products. Georg Thieme Verlag Stuttgart.

ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION

-

Page 225-226, (2010/11/30)

This invention provides certain compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention are useful as antagonists, or more preferably, partial antagonist of factor IX and thus, may be used to inhibit the intrinsic pathway of blood coagulation. The compounds are useful in a variety of applications including the management, treatment and/or control of diseases caused in part by the intrinsic clotting pathway utilizing factor IX. Such diseases or disease states include stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures, long periods of confinement, and acquired or inherited pro-coagulant states.

Protease inhibitors

-

, (2008/06/13)

The present invention provides bis-aminomethyl carbonyl protease inhibitors and pharmaceutically acceptable salts, hydrates and solvates thereof which inhibit proteases, including cathepsin K, pharmaceutical compositions of such compounds, and methods for treating diseases of excessive bone loss or cartilage or matrix degradation, including osteoporosis; gingival disease including gingivitis and periodontitis; arthritis, more specifically, osteoarthritis and rheumatoid arthritis; Paget's disease; hypercalcemia of malignancy; and metabolic bone disease, comprising inhibiting said bone loss or excessive cartilage or matrix degradation by administering to a patient in need thereof a compound of the present invention.

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