[[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-carbamic acid ethyl ester
[CAS# 318515-70-7]

Identification

• Classification: Organic raw materials >> Heterocyclic compound
• Name: [[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-carbamic acid ethyl ester
• Synonyms: ethyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
• Molecular Formula: C₁₉H₂₅N₃O₆S
• Molecular Weight: 423.48
• CAS Registry Number: 318515-70-7
• EC Number: 810-159-5
• SMILES: CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)OCC)C

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*, 1.293 g/mL (Expl.)
• Index of Refraction: 1.564, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07;GHS08 Warning
• Risk Statements: H317-H319-H361
• Safety Statements: P203-P261-P264+P265-P272-P280-P302+P352-P305+P351+P338-P318-P321-P333+P317-P337+P317-P362+P364-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin sensitization	Skin Sens.	1	H317
Reproductive toxicity	Repr.	2	H361
Eye irritation	Eye Irrit.	2	H319

Discovery and Applications

[[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-carbamic acid ethyl ester is a synthetic organic compound belonging to the class of sulfonamide derivatives. Its chemical structure is characterized by a complex arrangement of functional groups, including a carbamic acid ester, a sulfonyl group, and a pyrrolone moiety. This intricate structure contributes to its unique physicochemical and biological properties, making it an important molecule in pharmaceutical research and development.

The discovery of this compound stems from efforts to develop new bioactive molecules targeting various therapeutic pathways. It was synthesized through a multistep process involving key reactions such as sulfonylation, carbamoylation, and the incorporation of pyrrolone derivatives. The optimization of these reactions facilitated the production of the compound with high yield and purity, establishing its potential as a valuable chemical intermediate and active pharmaceutical ingredient.

This compound has gained attention for its potential applications in medicinal chemistry. Its structure suggests activity as an enzyme inhibitor, particularly against enzymes involved in inflammation and immune regulation. Research has explored its role in the design of novel anti-inflammatory and immunomodulatory agents. The presence of the sulfonyl-carbamic acid ester linkage enhances its binding affinity and selectivity for target proteins, contributing to its therapeutic relevance.

Additionally, [[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-carbamic acid ethyl ester has applications in drug delivery systems. Its chemical stability and functional group versatility make it a candidate for conjugation with bioactive compounds, facilitating targeted drug delivery and controlled release in therapeutic formulations.

Safety assessments and pharmacokinetic studies are ongoing to evaluate the compound’s efficacy and safety profiles. Its synthesis and application highlight the role of advanced organic chemistry techniques in creating multifunctional molecules for pharmaceutical innovation.

References

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