82791-93-3

Basic information

• Product Name: 2-TRIFLUOROMETHYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
• Synonyms: 2-TRIFLUOROMETHYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID;BUTTPARK 81\09-94;2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID;OTAVA-BB 1090389;2-(trifluoromethyl)-1H-benzimidazole-5-carboxylic acid(SALTDATA: FREE);2-(Trifluoromethyl)-1H-benzimidazolyl-5-carboxylicacid;2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid
• CAS NO: 82791-93-3
• Molecular Formula: C₉H₅F₃N₂O₂
• Molecular Weight: 230.14
• Product Categories: pharmacetical
• Mol File: 82791-93-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 284-285 °C
• Boiling Point: 414.0±45.0 °C(Predicted)
• Appearance: /
• Density: 1.630±0.06 g/cm3(Predicted)
• PKA: 3.62±0.30(Predicted)
• CAS DataBase Reference: 2-TRIFLUOROMETHYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-TRIFLUOROMETHYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID(82791-93-3)
• EPA Substance Registry System: 2-TRIFLUOROMETHYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID(82791-93-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 82791-93-3(Hazardous Substances Data)

Usage

General Description

2-Trifluoromethyl-3H-benzoimidazole-5-carboxylic acid is a chemical compound with the molecular formula C9H5F3N2O2. It is a carboxylic acid derivative with a trifluoromethyl group and a benzoimidazole ring structure. 2-TRIFLUOROMETHYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID has potential applications in pharmaceutical and medicinal chemistry, as it exhibits interesting biological activities and is studied for its potential as a drug candidate. Its precise uses and effects depend on the specific research and development being carried out, but its unique structure and properties make it a valuable component in the study of new drugs and treatments.

Upstream product

• 76-05-1 trifluoroacetic acid 
• 619-05-6 3,4-diaminobenzoic acid 
• 291506-95-1 4-amino-3-(2,2,2-trifluoro-acetylamino)-benzoic acid ethyl ester 
• 1588-83-6 4-amino-3-nitrobenzoic acid 
• 36692-49-6 Methyl 3,4-diaminobenzoate 

Downstream Products

• 89457-09-0 ethyl 2-(trifluoromethyl)-1H-benzo[d]imidazole-5-carboxylate 

Relevant articles and documents

BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA

Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS

A compound of formula I wherein: n is 1 or 2: p is 0 or 1; R1 is optionally one or more halo or methyl groups; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R3a and R3b are independently selected from H and Me; R4 is either H or Me; R5 is either H or Me; R6a and R6b are independently selected from H and Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C5-12 heteroaryl.

Exploring the interplay of physicochemical properties, membrane permeability and giardicidal activity of some benzimidazole derivatives

This study evaluated the relationship between the physicochemical properties, membrane permeability and in vitro giardicidal activity of twenty nine benzimidazole derivatives (1-7n). The retention time data from reverse phase high performance chromatography (RP-HPLC) were used to estimate aqueous solubility and lipophilicity of these compounds. The apparent permeability was determined using Caco-2 cell monolayer. The calculation of some descriptors, such as Clog P, PSA, was performed using ACD labs software. For benzimidazole derivatives with NHCOOCH3, CH3, NH2, SH and SCH3 groups at the 2-position, a quadratic type of regression model was obtained with giardicidal activity and aqueous solubility or lipophilicity. On the other hand, giardicidal activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives was influenced by lipophilicity, hydrogen bond donors and molecular volume but it was not determined by their apparent permeability in Caco-2 cell line.