1184513-36-7

Basic information

• Product Name: 2',3,5'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid
• Synonyms: 2',3,5'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid;4-(2,5-Difluorophenyl)-2-fluorobenzoic acid
• CAS NO: 1184513-36-7
• Molecular Formula: C13H7F3O2
• Molecular Weight: 252.1886896
• Mol File: 1184513-36-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 358.3±42.0 °C(Predicted)
• Appearance: /
• Density: 1.402±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 3.01±0.10(Predicted)
• CAS DataBase Reference: 2',3,5'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2',3,5'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid(1184513-36-7)
• EPA Substance Registry System: 2',3,5'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid(1184513-36-7)

Safety Data

• Hazardous Substances Data: 1184513-36-7(Hazardous Substances Data)

Usage

General Description

2',3,5'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid is a chemical compound with the molecular formula C13H7F3O2. It is a fluoro-substituted biphenyl derivative and belongs to the class of carboxylic acids. 2',3,5'-Trifluoro-[1,1'-biphenyl]-4-carboxylic acid is often used in pharmaceutical and organic synthesis as a building block for the preparation of various pharmaceutical drugs and agrochemicals. Its unique chemical structure and properties make it useful for the modification of biologically active molecules, and it is also used in the development of new materials and substances. Additionally, it has potential applications in the field of medicinal chemistry and drug discovery due to its ability to interact with biological targets and modulate their activity.

Upstream product

• 112704-79-7 2-fluoro-4-bromobenzoic acid 
• 193353-34-3 2,5-difurorboronic acid 

Relevant articles and documents

4-Aminopyridyl-based CYP51 inhibitors as anti-Trypanosoma cruzi drug leads with improved pharmacokinetic profile and in vivo potency

CYP51 is a P450 enzyme involved in the biosynthesis of the sterol components of eukaryotic cell membranes. CYP51 inhibitors have been developed to treat infections caused by fungi, and more recently the protozoan parasite Trypanosoma cruzi, the causative agent of Chagas disease. To specifically optimize drug candidates for T. cruzi CYP51 (TcCYP51), we explored the structure-activity relationship (SAR) of a N-indolyl-oxopyridinyl-4- aminopropanyl-based scaffold originally identified in a target-based screen. This scaffold evolved via medicinal chemistry to yield orally bioavailable leads with potent anti-T. cruzi activity in vivo. Using an animal model of infection with a transgenic T. cruzi Y luc strain expressing firefly luciferase, we prioritized the biaryl and N-arylpiperazine analogues by oral bioavailability and potency. The drug-target complexes for both scaffold variants were characterized by X-ray structure analysis. Optimization of both binding mode and pharmacokinetic properties of these compounds led to potent inhibitors against experimental T. cruzi infection.

Rational development of 4-aminopyridyl-based inhibitors targeting trypanosoma cruzi CYP51 as anti-chagas agents

A new series of 4-aminopyridyl-based lead inhibitors targeting Trypanosoma cruzi CYP51 (TcCYP51) has been developed using structure-based drug design as well as structure-property relationship (SPR) analyses. The screening hit starting point, LP10 (KD ≤ 42 nM; EC50 = 0.65 μM), has been optimized to give the potential leads 14t, 27i, 27q, 27r, and 27t, which have low-nanomolar binding affinity to TcCYP51 and significant activity against T. cruzi amastigotes cultured in human myoblasts (EC50 = 14-18 nM for 27i and 27r). Many of the optimized compounds have improved microsome stability, and most are selective against human CYPs 1A2, 2D6, and 3A4 (50% inhibition at 1 μM). A rationale for the improvement in microsome stability and selectivity of inhibitors against human metabolic CYP enzymes is presented. In addition, the binding mode of 14t with the Trypanosoma brucei CYP51 (TbCYP51) orthologue has been characterized by X-ray structure analysis.