Cas no 884507-30-6 (2-thiomorpholinoisonicotinonitrile)

2-Thiomorpholinoisonicotinonitrile is a specialized heterocyclic compound featuring a thiomorpholine moiety fused with an isonicotinonitrile scaffold. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical research, particularly as a versatile intermediate for synthesizing bioactive molecules. Its thiomorpholino group enhances binding affinity in certain biological targets, while the nitrile functionality offers a handle for further derivatization. The compound’s stability and compatibility with diverse reaction conditions make it valuable for medicinal chemistry applications, including the development of kinase inhibitors or antimicrobial agents. Its precise molecular architecture allows for tailored modifications, supporting structure-activity relationship studies in drug discovery.
2-thiomorpholinoisonicotinonitrile structure
884507-30-6 structure
Product Name:2-thiomorpholinoisonicotinonitrile
CAS No:884507-30-6
MF:C10H11N3S
MW:205.279440164566
MDL:MFCD09025862
CID:710536
PubChem ID:18525850
Update Time:2025-06-11

2-thiomorpholinoisonicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridinecarbonitrile,2-(4-thiomorpholinyl)-
    • 2-thiomorpholin-4-ylpyridine-4-carbonitrile
    • 2-thiomorpholinoisonicotinonitrile
    • 2-(thiomorpholin-4-yl)pyridine-4-carbonitrile
    • DTXSID70594603
    • FT-0751376
    • MFCD09025862
    • MS-22481
    • EN300-333418
    • 884507-30-6
    • DB-077297
    • MDL: MFCD09025862
    • Inchi: 1S/C10H11N3S/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
    • InChI Key: MZIANIKUVGCEPB-UHFFFAOYSA-N
    • SMILES: S1CCN(C2C=C(C#N)C=CN=2)CC1

Computed Properties

  • Exact Mass: 205.06700
  • Monoisotopic Mass: 205.06736854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 229
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 65.2?2

Experimental Properties

  • Density: 1.27
  • Melting Point: 109 °C
  • Boiling Point: 396.5°C at 760 mmHg
  • Flash Point: 193.6°C
  • Refractive Index: 1.635
  • PSA: 65.22000
  • LogP: 1.57148

2-thiomorpholinoisonicotinonitrile Pricemore >>

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2-thiomorpholinoisonicotinonitrile Related Literature

Additional information on 2-thiomorpholinoisonicotinonitrile

2-Thiomorpholinoisonicotinonitrile (CAS No. 884507-30-6): An Emerging Compound in Pharmaceutical Research

2-Thiomorpholinoisonicotinonitrile (CAS No. 884507-30-6) is a novel compound that has garnered significant attention in the field of pharmaceutical research due to its unique chemical structure and potential therapeutic applications. This compound, also known as 2-(thiomorpholino)isonicotinonitrile, is a derivative of isonicotinonitrile with a thiomorpholine moiety attached to the pyridine ring. The combination of these functional groups imparts distinct chemical and biological properties, making it a promising candidate for various medicinal applications.

The chemical structure of 2-thiomorpholinoisonicotinonitrile is characterized by a pyridine ring with a cyano group at the 4-position and a thiomorpholine substituent at the 2-position. The thiomorpholine ring, which is a six-membered heterocyclic compound containing sulfur, contributes to the compound's lipophilicity and enhances its ability to cross biological membranes. This property is particularly advantageous in drug design, as it can improve the bioavailability and efficacy of the compound.

Recent studies have explored the potential therapeutic applications of 2-thiomorpholinoisonicotinonitrile. One notable area of research is its anti-inflammatory properties. In vitro studies have shown that this compound can effectively inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6 in human macrophages. These findings suggest that 2-thiomorpholinoisonicotinonitrile may have potential as an anti-inflammatory agent for treating conditions such as rheumatoid arthritis and inflammatory bowel disease.

In addition to its anti-inflammatory effects, 2-thiomorpholinoisonicotinonitrile has also been investigated for its neuroprotective properties. Preclinical studies in animal models have demonstrated that this compound can reduce neuronal damage and improve cognitive function in models of neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. The mechanism underlying these effects is thought to involve the modulation of oxidative stress and the inhibition of neuroinflammatory pathways.

The pharmacokinetic profile of 2-thiomorpholinoisonicotinonitrile has also been studied to assess its suitability for therapeutic use. In vivo studies in rodents have shown that this compound exhibits good oral bioavailability and a favorable pharmacokinetic profile, with a half-life suitable for once-daily dosing. These properties make it an attractive candidate for further development as a therapeutic agent.

To further validate its therapeutic potential, clinical trials are currently underway to evaluate the safety and efficacy of 2-thiomorpholinoisonicotinonitrile. Early-phase clinical trials have shown promising results, with no significant adverse effects reported at therapeutic doses. These findings provide a strong foundation for advancing this compound into later-stage clinical trials.

In conclusion, 2-thiomorpholinoisonicotinonitrile (CAS No. 884507-30-6) represents an exciting development in pharmaceutical research. Its unique chemical structure and promising biological activities make it a valuable candidate for treating various inflammatory and neurodegenerative diseases. Ongoing research and clinical trials will continue to elucidate its full therapeutic potential, paving the way for new treatment options in the future.

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