878733-50-7

Basic information

• Product Name: 1-(2-FLUORO-BENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
• Synonyms: TIMTEC-BB SBB011630;AKOS BB-3601;1-(2-FLUORO-BENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE;ASINEX-REAG BAS 12968458
• CAS NO: 878733-50-7
• Molecular Formula: C₁₄H₁₄FNO
• Molecular Weight: 231.27
• Mol File: 878733-50-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(2-FLUORO-BENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-FLUORO-BENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(878733-50-7)
• EPA Substance Registry System: 1-(2-FLUORO-BENZYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(878733-50-7)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 878733-50-7(Hazardous Substances Data)

Usage

Appearance

Yellow to brown crystalline powder

Molecular weight

210.27 g/mol

Usage

Key intermediate in the preparation of various pharmaceuticals, agrochemicals, and other fine chemicals

Application

Utilized in the development of new materials and scientific research

Chemical structure

Presence of 2-fluoro-benzyl group and dimethyl pyrrole ring

Properties and reactivity

Unique properties and reactivity due to the chemical structure, making it a valuable building block in organic chemistry

Upstream product

• 89-99-6 2-fluorobenzylamine 
• 110-13-4 2,5-hexanedione 
• 937662-43-6 C₁₃H₁₄FN 
• 68-12-2 N,N-dimethyl-formamide 

Relevant articles and documents

Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3- alkyl-2-(alkylimino)thiazolidin-4-one chemotype

High affinity and selective S1P4 receptor (S1P4-R) small molecule agonists may be important proof-of-principle tools used to clarify the receptor biological function and effects to assess the therapeutic potential of the S1P4-R in diverse disease areas including treatment of viral infections and thrombocytopenia. A high-throughput screening campaign of the Molecular Libraries-Small Molecule Repository was carried out by our laboratories and identified (2Z,5Z)-5-((1-(2-fluorophenyl)-2,5-dimethyl-1H- pyrrol-3-yl)methylene)-3-methyl-2-(methylimino) thiazolidin-4-one as a promising S1P4-R agonist hit distinct from literature S1P4-R modulators. Rational chemical modifications of the hit allowed the identification of a promising lead molecule with low nanomolar S1P4-R agonist activity and exquisite selectivity over the other S1P 1-3,5-Rs family members. The lead molecule herein disclosed constitutes a valuable pharmacological tool to explore the effects of the S1P4-R signaling cascade and elucidate the molecular basis of the receptor function.