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

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

Uses

Used in Pharmaceutical Industry:
4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID is used as a potential pharmaceutical agent due to its unique structure and properties. Its furo[3,2-b]pyrrole derivative nature may contribute to the development of new drugs with specific biological activities.
Used in Materials Science:
In the field of materials science, 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID is used for the exploration of its potential in creating new materials with distinct properties. Its chemical structure may offer novel applications in material development.
Further research and investigation are necessary to fully understand the potential uses and effects of 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID in these and other fields.

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

• 98-01-1 furfural 
• 164667-61-2 C₉H₉NO₃ 
• 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.

New sulfanilamide derivatives incorporating heterocyclic carboxamide moieties as carbonic anhydrase inhibitors

Carbonic Anhydrases (CAs) are ubiquitous metalloenzymes involved in several disease conditions. There are 15 human CA (hCA) isoforms and their high homology represents a challenge for the discovery of potential drugs devoid of off-target side effects. For this reason, many synthetic and pharmacologic research efforts are underway to achieve the full pharmacological potential of CA modulators of activity. We report here a novel series of sulfanilamide derivatives containing heterocyclic carboxamide moieties which were evaluated as CA inhibitors against the physiological relevant isoforms hCA I, II, IX, and XII. Some of them showed selectivity toward isoform hCA II and hCA XII. Molecular docking was performed for some of these compounds on isoforms hCA II and XII to understand the possible interaction with the active site amino acid residues, which rationalized the reported inhibitory activity.