Cas no 952340-39-5 (5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate)

5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate is a heterocyclic sulfonate derivative with potential applications in pharmaceutical and organic synthesis. Its fused thienopyridine structure offers a versatile scaffold for the development of bioactive compounds, particularly in central nervous system (CNS) research. The 4-methylbenzenesulfonate (tosylate) counterion enhances solubility and stability, facilitating handling and formulation. This compound may serve as a key intermediate in the synthesis of therapeutic agents due to its rigid bicyclic framework and modifiable functional groups. Its well-defined crystalline form ensures consistent purity, making it suitable for rigorous synthetic and pharmacological studies.
5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate structure
952340-39-5 structure
Product Name:5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate
CAS No:952340-39-5
MF:C14H17NO4S2
MW:327.419081449509
MDL:MFCD12407185
CID:69661
PubChem ID:45108320
Update Time:2025-05-22

5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one,4-methylbenzenesulfonic acid
    • 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one tosylate
    • THIENO[3,2-C]PYRIDIN-2(4H)-ONE,5,6,7,7A-TETRAHYDRO-,4-METHYLBENZENESULFONATE (1:1)
    • 2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine-p-toluenesulfonate
    • 5,6,7,7a-tetra
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]-pyridin-2-one p-toluenesulfonate
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]-pyridin-2-one toluene-4-sulfonate
    • 5,6,7,7a-tetrahydro-4H-tieno[3,2-c]pyridine-2-on toluene-4-sulfonate
    • 5,6,7,7a-tetrahydro-thieno-[3,2-c]-pyridin-2(4H)-one p-toluenesulfonate
    • A859116
    • AC-26986
    • J-509547
    • 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one4-methylbenzenesulfonate
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2 -c]pyridin-2-one p-toluenesulfonate
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;4-methylbenzenesulfonic acid
    • 4-Methylbenzene-1-sulfonic acid--5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one (1/1)
    • SCHEMBL987415
    • FT-0696946
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one p-toluenesulfonate
    • DTXSID10668256
    • FQNGDMMHUSPFOL-UHFFFAOYSA-N
    • 952340-39-5
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine-2-on p-toluenesulfonate
    • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one p-toluene sulfonate
    • AKOS015855795
    • 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate (1:1)
    • HS-3091
    • 2H,4H,5H,6H,7H,7aH-Thieno[3,2-c]pyridin-2-one; 4-methylbenzene-1-sulfonic acid
    • 5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate
    • MDL: MFCD12407185
    • Inchi: 1S/C7H9NOS.C7H8O3S/c9-7-3-5-4-8-2-1-6(5)10-7;1-6-2-4-7(5-3-6)11(8,9)10/h3,6,8H,1-2,4H2;2-5H,1H3,(H,8,9,10)
    • InChI Key: FQNGDMMHUSPFOL-UHFFFAOYSA-N
    • SMILES: S1C(C=C2CNCCC12)=O.S(C1C=CC(C)=CC=1)(=O)(=O)O

Computed Properties

  • Exact Mass: 327.06000
  • Monoisotopic Mass: 327.06
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 406
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 117A^2

Experimental Properties

  • Color/Form: NA
  • Boiling Point: 593.1°C at 760 mmHg
  • Flash Point: 312.5 °C
  • PSA: 117.15000
  • LogP: 3.19940

5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Security Information

5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Pricemore >>

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5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Production Method

5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:952340-39-5)5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate
Order Number:A859116
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:16
Price ($):554.0

Additional information on 5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate

Recent Advances in the Study of 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate (CAS: 952340-39-5)

The compound 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate (CAS: 952340-39-5) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its thienopyridine core and p-toluenesulfonate counterion, has shown promising potential in various therapeutic applications. Recent studies have focused on its synthesis, pharmacological properties, and potential mechanisms of action, making it a subject of intense scientific inquiry.

One of the key areas of research has been the optimization of synthetic routes for 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate. A 2023 study published in the Journal of Medicinal Chemistry demonstrated an improved synthetic protocol that enhances yield and purity while reducing production costs. The study highlighted the importance of controlling reaction conditions, such as temperature and solvent choice, to minimize byproduct formation. This advancement is expected to facilitate larger-scale production for preclinical and clinical studies.

Pharmacological investigations have revealed that this compound exhibits notable activity as a modulator of specific neurotransmitter systems. Research published in Neuropharmacology (2024) demonstrated its potent affinity for certain serotonin receptor subtypes, suggesting potential applications in neurological and psychiatric disorders. The study utilized advanced molecular modeling techniques to elucidate the compound's binding interactions, providing valuable insights for structure-activity relationship (SAR) optimization.

In the realm of drug development, recent preclinical studies have explored the compound's pharmacokinetic profile. A 2024 report in Drug Metabolism and Disposition characterized its absorption, distribution, metabolism, and excretion (ADME) properties in animal models. The findings indicated favorable oral bioavailability and brain penetration, supporting its potential as a central nervous system (CNS)-targeted therapeutic agent. However, the study also noted the need for further optimization to address certain metabolic stability challenges.

Emerging research has also investigated the compound's potential in treating specific disease conditions. A recent study in the European Journal of Pharmacology (2024) explored its effects in animal models of neuropathic pain, demonstrating significant analgesic efficacy with a favorable safety profile. The researchers proposed that its mechanism may involve dual modulation of both opioid and non-opioid pain pathways, representing a novel approach to pain management.

From a chemical biology perspective, innovative work has focused on developing fluorescent and radiolabeled derivatives of 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate for target engagement studies. These molecular probes, described in a 2023 ACS Chemical Biology publication, have enabled real-time visualization of target interactions in cellular systems, providing valuable tools for mechanistic studies and drug discovery efforts.

As research progresses, several pharmaceutical companies have included this compound in their development pipelines. Patent filings from 2023-2024 reveal growing interest in its therapeutic applications, particularly in neurological disorders and chronic pain conditions. However, challenges remain in optimizing its selectivity profile and minimizing potential off-target effects, which are active areas of current research.

In conclusion, 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate (CAS: 952340-39-5) represents a promising scaffold in medicinal chemistry with diverse therapeutic potential. Recent advances in its synthesis, pharmacological characterization, and mechanistic understanding have positioned it as an important subject for continued investigation. Future research directions likely will focus on clinical translation, combination therapies, and further structural optimization to maximize therapeutic potential while minimizing adverse effects.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:952340-39-5)5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate
A859116
Purity:99%
Quantity:1g
Price ($):554.0
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