423749-16-0

Basic information

• Product Name: 2,5-DIMETHYL-1-M-TOLYL-1H-PYRROLE-3-CARBALDEHYDE
• Synonyms: 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbaldehyde
• CAS NO: 423749-16-0
• Molecular Formula: C14H15NO
• Molecular Weight: 213.28
• Mol File: 423749-16-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 364.1 °C at 760 mmHg
• Flash Point: 174 °C
• Appearance: /
• Density: 1.03 g/cm³
• Vapor Pressure: 1.73E-05mmHg at 25°C
• Refractive Index: 1.554
• CAS DataBase Reference: 2,5-DIMETHYL-1-M-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-1-M-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(423749-16-0)
• EPA Substance Registry System: 2,5-DIMETHYL-1-M-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(423749-16-0)

Safety Data

• Hazardous Substances Data: 423749-16-0(Hazardous Substances Data)

Usage

General Description

2,5-DIMETHYL-1-M-TOLYL-1H-PYRROLE-3-CARBALDEHYDE is a chemical compound with the molecular formula C13H13NO. It is a derivative of pyrrole and is commonly used as a fragrance ingredient in perfumes and cosmetics. 2,5-DIMETHYL-1-M-TOLYL-1H-PYRROLE-3-CARBALDEHYDE is a yellow to amber liquid with a strong, sweet, and floral odor. It is also known for its use as an intermediate for the synthesis of pharmaceuticals and other organic compounds. Additionally, it has been studied for its potential biological and pharmacological properties, making it a subject of interest in the fields of chemistry and medicine.

InChI:InChI=1/C14H15NO/c1-10-5-4-6-14(7-10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3

Upstream product

• 108-44-1 1-amino-3-methylbenzene 
• 110-13-4 2,5-hexanedione 
• 32570-10-8 N-(3′-methylphenyl)-2,5-dimethylpyrrole 
• 68-12-2 N,N-dimethyl-formamide 

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.