Cas no 920478-39-3 (2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile)

2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is a heterocyclic compound featuring a benzothiophene core functionalized with a maleimide group and a phenyl substituent. Its unique structure combines electron-withdrawing and electron-donating moieties, making it a versatile intermediate in organic synthesis, particularly for constructing complex heterocyclic systems. The maleimide group enables selective conjugation via Michael addition or Diels-Alder reactions, while the nitrile functionality offers further derivatization potential. This compound is of interest in pharmaceutical and materials research due to its rigid, fused-ring scaffold and reactivity profile. Its stability under standard conditions facilitates handling and storage.
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile structure
920478-39-3 structure
Product Name:2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS No:920478-39-3
MF:C19H14N2O2S
MW:334.391663074493
MDL:MFCD02854755
CID:4719790
Update Time:2025-08-05

2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
    • benzo[b]thiophene-3-carbonitrile, 2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-6-phenyl-
    • MDL: MFCD02854755
    • Inchi: 1S/C19H14N2O2S/c20-11-15-14-7-6-13(12-4-2-1-3-5-12)10-16(14)24-19(15)21-17(22)8-9-18(21)23/h1-5,8-9,13H,6-7,10H2
    • InChI Key: JUWZLAKOOZBZCR-UHFFFAOYSA-N
    • SMILES: S1C(=C(C#N)C2=C1CC(C1C=CC=CC=1)CC2)N1C(C=CC1=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 598
  • Topological Polar Surface Area: 89.4

2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Pricemore >>

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2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Suppliers

Amadis Chemical Company Limited
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(CAS:920478-39-3)2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Order Number:A1191420
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:15
Price ($):302.0

Additional information on 2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Introduction to Compound with CAS No. 920478-39-3 and Its Applications in Modern Chemical Biology

The compound with the CAS number 920478-39-3 and the product name 2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile represents a significant advancement in the field of chemical biology. This intricate molecular structure has garnered considerable attention due to its potential applications in pharmaceutical research and drug development. The compound's unique framework, featuring a benzothiophene core appended with a pyrrole ring and a nitrile group, positions it as a versatile scaffold for designing novel bioactive molecules.

In recent years, there has been a surge in interest regarding heterocyclic compounds that incorporate both oxygen and sulfur atoms within their structures. These elements contribute to the compound's ability to interact with biological targets in sophisticated ways. The 2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl) moiety, in particular, is known for its ability to modulate enzyme activity and cellular signaling pathways. This feature has made it a focal point for researchers exploring new therapeutic strategies.

The benzothiophene scaffold is another critical component of this compound that has been extensively studied for its pharmacological properties. Benzothiophenes are well-documented for their role in various pharmacological applications, including antiviral, anti-inflammatory, and anticancer agents. The presence of the 6-phenyl group further enhances the compound's complexity and potential biological activity. This phenyl ring can engage in π-stacking interactions with biological targets, thereby influencing the compound's binding affinity and selectivity.

The nitrile group at the 3-position of the benzothiophene ring adds another layer of functionality to this molecule. Nitrile groups are known for their ability to participate in hydrogen bonding and hydrophobic interactions, which can be crucial for optimizing drug-like properties such as solubility and bioavailability. Additionally, nitrile groups have been shown to exhibit metabolic stability, making them favorable for drug development.

Recent studies have highlighted the importance of understanding the structural features that contribute to the biological activity of heterocyclic compounds. The compound in question has been investigated for its potential role in modulating various biological pathways. For instance, preliminary research suggests that it may interact with enzymes involved in inflammation and oxidative stress responses. These pathways are implicated in a wide range of diseases, making this compound a promising candidate for further exploration.

The synthesis of this compound involves multiple steps that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies have been employed to construct the complex framework efficiently. Techniques such as palladium-catalyzed cross-coupling reactions have been particularly useful in forming the carbon-carbon bonds that define the molecule's structure.

In terms of pharmacological evaluation, the compound has been subjected to various assays to assess its potential therapeutic effects. These assays include cell-based assays to evaluate cytotoxicity and enzyme inhibition, as well as animal models to investigate its efficacy in vivo. Preliminary results have shown encouraging activity against certain disease-related targets, warranting further investigation.

The development of new drugs is often hampered by challenges related to drug resistance and side effects. The unique structural features of this compound offer a promising approach to overcoming these challenges by targeting multiple pathways simultaneously or by exploiting novel mechanisms of action. This multifaceted approach could lead to more effective and durable therapeutic outcomes.

The role of computational chemistry in drug discovery cannot be overstated. Molecular modeling techniques have been used extensively to predict the binding modes of this compound with its target proteins. These predictions provide valuable insights into how the molecule interacts with biological systems at the atomic level. Such information is crucial for optimizing lead compounds into viable drugs.

The future prospects for this compound are bright, with ongoing research aimed at elucidating its full potential. Further studies are planned to explore its mechanism of action in greater detail and to identify any off-target effects that might arise from its complex structure. Additionally, efforts are underway to develop analogs of this compound with enhanced properties such as improved solubility or bioavailability.

In conclusion, the compound with CAS number 920478-39-3 represents a significant contribution to the field of chemical biology. Its intricate molecular structure and multifaceted functional groups make it a promising candidate for drug development. With continued research and innovation, this compound has the potential to play a crucial role in addressing some of today's most pressing medical challenges.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:920478-39-3)2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
A1191420
Purity:99%
Quantity:5g
Price ($):302.0
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