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Benzoic acid, 5-bromo-2,3,4-trifluorois a chemical intermediate and building block for organic synthesis, belonging to the class of organic compounds known as benzoic acids. It is a derivative of benzoic acid, with bromine and trifluoromethyl groups attached to the benzene ring.

212631-85-1

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212631-85-1 Usage

Uses

Used in Pharmaceutical Industry:
Benzoic acid, 5-bromo-2,3,4-trifluorois used as an intermediate for the synthesis of pharmaceuticals, contributing to the development of new drugs and medications.
Used in Agrochemical Industry:
Benzoic acid, 5-bromo-2,3,4-trifluorois also utilized as an intermediate in the production of agrochemicals, playing a role in the creation of pesticides and other agricultural products.
Used in Dye and Pigment Production:
Benzoic acid, 5-bromo-2,3,4-trifluorois employed in the manufacturing of dyes and pigments, contributing to the coloration and appearance of various products.
It is important to handle Benzoic acid, 5-bromo-2,3,4-trifluorowith care due to potential health and safety risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 212631-85-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,2,6,3 and 1 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 212631-85:
(8*2)+(7*1)+(6*2)+(5*6)+(4*3)+(3*1)+(2*8)+(1*5)=101
101 % 10 = 1
So 212631-85-1 is a valid CAS Registry Number.

212631-85-1Relevant academic research and scientific papers

Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold

Do, Ha T.,Li, Huiying,Chreifi, Georges,Poulos, Thomas L.,Silverman, Richard B.

supporting information, p. 2690 - 2707 (2019/03/11)

Effective delivery of therapeutic drugs into the human brain is one of the most challenging tasks in central nervous system drug development because of the blood-brain barrier (BBB). To overcome the BBB, both passive permeability and efflux transporter liability of a compound must be addressed. Herein, we report our optimization related to BBB penetration of neuronal nitric oxide synthase (nNOS) inhibitors toward the development of new drugs for neurodegenerative diseases. Various approaches, including enhancing lipophilicity and rigidity of new inhibitors and modulating the pKa of amino groups, have been employed. In addition to determining inhibitor potency and selectivity, crystal structures of most newly designed compounds complexed to various nitric oxide synthase isoforms have been determined. We have discovered a new analogue (21), which exhibits not only excellent potency (Ki 30 nM) in nNOS inhibition but also a significantly low P-glycoprotein and breast-cancer-resistant protein substrate liability as indicated by an efflux ratio of 0.8 in the Caco-2 bidirectional assay.

BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF

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Page/Page column, (2015/01/06)

Disclosed are compound of formula (I) and pharmaceutically accepted salts and prodrugs thereof, wherein each of R1, R2, R3, R4, R5, R6, X1 and X2 is as defined in the description. These compounds are protein kinases inhibitors, especially the inhibitors of Mek, which are useful in the treatment of cancers and inflammation of mammals. Disclosed are the treatment methods of cancers and inflammation of mammals as well as pharmaceutical compositions comprising the compounds described herein. The preparation of benzoheterocyclic compounds are disclosed. Disclosed are the preparation of potential drug candidates, such as benzooxazol, benzothiazol, benzothiadiazol and the like.

BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF

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Paragraph 0510; 0535; 0562, (2013/07/31)

Disclosed are compound of formula (I) and pharmaceutically accepted salts and prodrugs thereof, wherein each of R1, R2, R3, R4, R5, R6, X1 and X2 is as defined in the description. These compounds are protein kinases inhibitors, especially the inhibitors of Mek, which are useful in the treatment of cancers and inflammation of mammals. Disclosed are the treatment methods of cancers and inflammation of mammals as well as pharmaceutical compositions comprising the compounds described herein. The preparation of benzoheterocyclic compounds are disclosed. Disclosed are the preparation of potential drug candidates, such as benzooxazol, benzothiazol, benzothiadiazol and the like.

The dramatic influence of the location of bend and of lateral fluoro substitution on the mesomorphic properties of angular chiral esters based on a 1,3-disubstituted benzene ring

Fergusson, Kenneth M.,Hird, Michael

supporting information; experimental part, p. 3069 - 3078 (2011/08/03)

The synthesis and mesomorphic properties of a range of 3-ring and 4-ring chiral esters based on a 1,3-disubstituted benzene unit are detailed. These materials all deviate from the usual linear molecular architecture of liquid crystals, and hence are all angular in nature. Some of these materials have the bend right at the end of the molecule where the chain deviates from the normal linear arrangement, and hence a 'hockey stick' molecular architecture is perhaps an accurate description. Other materials have a genuine bent-core construction where the bend is towards the centre of the molecule, and hence are best termed as 'boomerang' shape. In all cases, interesting comparisons of mesophase morphology and transition temperatures were found, both between the various angular materials and with their linear analogues. In particular, the influence on transition temperatures of lateral fluoro substitution in the novel angular materials was found to be wholly different to that found in the known linear analogues. The work forms part of a larger on-going research programme to investigate the mesomorphic and chirality-dependent properties of angular liquid crystals. The research revealed that no mesomorphism in parent compounds is possible when the bend is close to the centre of the molecule, however, lateral fluoro substitution of such compounds facilitates the generation of liquid crystal phases. Where the molecular bend is as a consequence of the terminal unit at the end of the core, then surprisingly high clearing points resulted, and such materials were found to show the potential for a high tilt angle, and a strong tendency towards helical mesophases. Lateral fluoro substitution of these latter examples resulted consistently in significantly higher clearing points, which is in marked contrast to the behaviour reported previously in known liquid crystals of linear molecular architectures. The Royal Society of Chemistry.

INHIBITORS OF MEK

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Page/Page column 88, (2008/12/07)

This invention concerns to N-(2-aylamino) aryl sulfonamides, which are inhibitors of MEK, methods of using such compounds in the treatment of hyperproliferative diseases, and to pharmaceutical compositions containing such compounds.

PROCESS FOR PRODUCTION OF 2,3,4-TRIFLUORO-5-(IODO OR BROMO)BENZOIC ACID

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Page/Page column 16-17; 2/3, (2008/06/13)

A process for producing 2,3,4-trifluoro-5-(iodo or bromo)benzoic acid, the process comprising a haloganation step in which 2,3,4-trifluorobenzoic acid is iodinated or brominated directly with an iodinating agent or brominating agent in a reaction solvent

Heterocyclic inhibitors of MEK and methods of use thereof

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Page/Page column 20, (2008/06/13)

Disclosed are compounds of the Formula I and pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R7, R8, R9 and R10, W and Y are as defined in the specification. Such compounds are MEK inhibitors and useful in the treatment of hyperproliferative diseases, such as cancer and inflammation, in mammals. Also disclosed are methods of using such compounds in the treatment of hyperproliferative diseases in mammals and pharmaceutical compositions containing such compounds.

Heterocyclic inhibitors of MEK and methods of use thereof

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, (2008/06/13)

Disclosed are compounds of the Formula I and pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R7, R8, R9 and R10, W and Y are as defined in the specification. Such compounds are MEK inhibitors and useful in the treatment of hyperproliferative diseases, such as cancer and inflammation, in mammals. Also disclosed are methods of using such compounds in the treatment of hyperproliferative diseases in mammals and pharmaceutical compositions containing such compounds.

Treatment of asthma with MEK inhibitors

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, (2008/06/13)

This invention provides a method of preventing or treating asthma by administering to a patient in need of treatment an effective amount of a selective MEK inhibitor, especially a phenyl amine of Formula I and II:

Combination chemotherapy

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, (2008/06/13)

Mitotic inhibitors such as paclitaxel have improved antitumor activity when used in combination with a selective MEK inhibitor, especially a phenyl amine compound of Formula I and II:

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