Cas no 952340-39-5 (5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate)
5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Chemical and Physical Properties
Names and Identifiers
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- 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
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- 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
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Sealed in dry,2-8°C
5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A072050-2.5mg |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 2.5mg |
$ 200.00 | 2022-06-08 | ||
| TRC | A072050-5mg |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 5mg |
$ 370.00 | 2022-06-08 | ||
| TRC | A072050-10mg |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 10mg |
$ 585.00 | 2022-06-08 | ||
| Chemenu | CM173691-1g |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 95% | 1g |
$729 | 2021-08-05 | |
| Alichem | A019088176-1g |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 95% | 1g |
$646.84 | 2023-08-31 | |
| Chemenu | CM173691-1g |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 95% | 1g |
$609 | 2023-01-18 | |
| Matrix Scientific | 094473-250mg |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate, 95+% |
952340-39-5 | 95+% | 250mg |
$742.00 | 2023-09-08 | |
| Matrix Scientific | 094473-1g |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate, 95+% |
952340-39-5 | 95+% | 1g |
$1647.00 | 2023-09-08 | |
| Cooke Chemical | BD9485631-1g |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 95+% | 1g |
RMB 3516.80 | 2025-02-20 | |
| Ambeed | A381033-1g |
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate |
952340-39-5 | 95+% | 1g |
$615.0 | 2024-08-02 |
5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Suppliers
5,6,7,7a-Tetrahydrothieno3,2-cpyridin-2(4H)-one 4-methylbenzenesulfonate Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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.
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