117613-30-6

Basic information

• Product Name: 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID
• Synonyms: 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID;4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid, tech;4H-Furo[3,2-b]pyrrole-5-carboxylicacid,4-methyl-(9CI);5-Carboxy-4-methyl-4H-furo[3,2-b]pyrrole;4-Methyl-4H-furo[3,2-b]pyrrol-5-carboxylic acid
• CAS NO: 117613-30-6
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.15
• Product Categories: GLYCINESCAFFOLD
• Mol File: 117613-30-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 200 °C
• Boiling Point: 348.3 °C at 760 mmHg
• Flash Point: 164.4 °C
• Appearance: /
• Density: 1.43 g/cm³
• Vapor Pressure: 1.92E-05mmHg at 25°C
• Refractive Index: 1.633
• PKA: 3.94±0.30(Predicted)
• CAS DataBase Reference: 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID(117613-30-6)
• EPA Substance Registry System: 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID(117613-30-6)

Safety Data

• Hazard Codes: Harmful:
• Statements: 41
• Safety Statements: 26-39
• Hazardous Substances Data: 117613-30-6(Hazardous Substances Data)

Usage

General Description

4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is a chemical compound with a molecular formula C9H7NO3. It is a furo[3,2-b]pyrrole derivative, which is a class of compounds known for their potential biological activities. This particular compound is a carboxylic acid and contains a methyl group at the 4-position of the furo[3,2-b]pyrrole ring. It may have various potential applications in pharmaceuticals, materials, and other fields due to its unique structure and properties. Further research and investigation are necessary to fully understand its potential uses and effects.

InChI:InChI=1/C8H7NO3/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)

Upstream product

• 164667-61-2 C₉H₉NO₃ 
• 98-01-1 furfural 
• 106513-86-4 ethyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate 
• 35405-94-8 4H-Furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester 

Relevant articles and documents

Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration

Lysine specific demethylase 1 KDM1A (LSD1) regulates histone methylation and it is increasingly recognized as a potential therapeutic target in oncology. We report on a high-throughput screening campaign performed on KDM1A/CoREST, using a time-resolved fluorescence resonance energy transfer (TR-FRET) technology, to identify reversible inhibitors. The screening led to 115 hits for which we determined biochemical IC50, thus identifying four chemical series. After data analysis, we have prioritized the chemical series of N-phenyl-4H-thieno[3, 2-b]pyrrole-5-carboxamide for which we obtained X-ray structures of the most potent hit (compound 19, IC50 = 2.9 μM) in complex with the enzyme. Initial expansion of this chemical class, both modifying core structure and decorating benzamide moiety, was directed toward the definition of the moieties responsible for the interaction with the enzyme. Preliminary optimization led to compound 90, which inhibited the enzyme with a submicromolar IC50 (0.162 μM), capable of inhibiting the target in cells.