256529-25-6

Basic information

• Product Name: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE
• Synonyms: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE;AKOS BB-3014
• CAS NO: 256529-25-6
• Molecular Formula: C₁₄H₁₂F₃NO
• Molecular Weight: 267.25
• Mol File: 256529-25-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 343.0±42.0 °C(Predicted)
• Appearance: /
• Density: 1.20±0.1 g/cm3(Predicted)
• PKA: -6.04±0.70(Predicted)
• CAS DataBase Reference: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE(256529-25-6)
• EPA Substance Registry System: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE(256529-25-6)

Safety Data

• Hazardous Substances Data: 256529-25-6(Hazardous Substances Data)

Usage

Molecular Structure

2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE consists of a pyrrole core structure with two methyl groups and a trifluoromethylphenyl group as substituents.

Functional Groups

The chemical contains both aldehyde and aromatic functional groups, which contribute to its reactivity and potential applications in organic synthesis.

Use in Synthesis

It is commonly used as a building block in organic synthesis and pharmaceutical research for the development of various compounds.

Potential Hazards

This chemical should be handled with care due to its potential to cause irritation and harmful effects if not used properly.

Application Range

The presence of multiple functional groups makes this compound valuable in the development of a wide range of organic compounds, including pharmaceuticals and other organic materials.

Upstream product

• 570-05-8 2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrole 
• 68-12-2 N,N-dimethyl-formamide 
• 455-14-1 4-trifluoromethylphenylamine 
• 110-13-4 2,5-hexanedione 

Downstream Products

• 1428183-46-3 C₂₂H₂₁F₃N₂O₃ 

Relevant articles and documents

A New FXR Ligand Chemotype with Agonist/Antagonist Switch

Therapeutic modulation of the bile acid-sensing transcription factor farnesoid X receptor (FXR) is an appealing strategy to counteract hepatic and metabolic diseases. Despite the availability of several highly potent FXR agonists structural diversity of FXR modulators is limited, and new ligand scaffolds are needed. Here we report structure-activity relationship elucidation of a new FXR modulator chemotype whose activity can be tuned between agonism and antagonism by two minor structural modifications. Starting from a weak FXR/PPAR agonist, we have developed selective FXR activators and antagonists with nanomolar to low-micromolar potencies and binding affinities. The new FXR ligand chemotype modulates the FXR activity in the native cellular setting, is endowed with favorable metabolic stability, and lacks cytotoxicity. It valuably expands the collection of FXR modulators as a new scaffold for FXR-targeted drug discovery.

ANDROGEN RECEPTOR ANTAGONISTS

Compounds that inhibit the androgen receptor, pharmaceutical compositions comprising one or more of the compounds, as well as methods of treating cancer using such compounds are described.

Discovery and structure-activity relationships of pyrrolone antimalarials

In the pursuit of new antimalarial leads, a phenotypic screening of various commercially sourced compound libraries was undertaken by the World Health Organisation Programme for Research and Training in Tropical Diseases (WHO-TDR). We report here the detailed characterization of one of the hits from this process, TDR32750 (8a), which showed potent activity against Plasmodium falciparum K1 (EC50 ～ 9 nM), good selectivity (>2000-fold) compared to a mammalian cell line (L6), and significant activity against a rodent model of malaria when administered intraperitoneally. Structure-activity relationship studies have indicated ways in which the molecule could be optimized. This compound represents an exciting start point for a drug discovery program for the development of a novel antimalarial.