Cas no 70590-48-6 (6,7-dihydro-5H-1,3-benzothiazol-4-one)
6,7-dihydro-5H-1,3-benzothiazol-4-one Chemical and Physical Properties
Names and Identifiers
-
- 4(5H)-Benzothiazolone, 6,7-dihydro-
- 6,7-dihydro-5H-1,3-benzothiazol-4-one
- EN300-131808
- ISBLAVGBVIOWID-UHFFFAOYSA-N
- 70590-48-6
- 4-Oxo-4,5,6,7-tetrahydro-benzo[d]thiazole
- SCHEMBL10354633
- 6,7-Dihydrobenzo[d]thiazol-4(5H)-one
- 4,5,6,7-tetrahydro-1,3-benzothiazol-4-one
- 6,7-dihydro-5H-benzothiazol-4-one
- AKOS014306055
- 6,7-Dihydro-4(5H)-benzothiazolone
- DB-398999
-
- MDL: MFCD18819543
- Inchi: 1S/C7H7NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h4H,1-3H2
- InChI Key: ISBLAVGBVIOWID-UHFFFAOYSA-N
- SMILES: S1C=NC2C(CCCC1=2)=O
Computed Properties
- Exact Mass: 153.02483502g/mol
- Monoisotopic Mass: 153.02483502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 1.4
- Topological Polar Surface Area: 58.2?2
6,7-dihydro-5H-1,3-benzothiazol-4-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T293103-5mg |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 5mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T293103-10mg |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 10mg |
$ 70.00 | 2022-06-02 | ||
| TRC | T293103-50mg |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 50mg |
$ 295.00 | 2022-06-02 | ||
| Chemenu | CM360060-1g |
6,7-dihydro-5H-1,3-benzothiazol-4-one |
70590-48-6 | 95% | 1g |
$759 | 2024-07-24 | |
| eNovation Chemicals LLC | D658902-1g |
6,7-dihydro-5H-1,3-benzothiazol-4-one |
70590-48-6 | 95% | 1g |
$885 | 2024-08-03 | |
| Enamine | EN300-131808-0.05g |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 95% | 0.05g |
$196.0 | 2023-06-08 | |
| Enamine | EN300-131808-0.1g |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 95% | 0.1g |
$292.0 | 2023-06-08 | |
| Enamine | EN300-131808-0.25g |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 95% | 0.25g |
$416.0 | 2023-06-08 | |
| Enamine | EN300-131808-0.5g |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 95% | 0.5g |
$656.0 | 2023-06-08 | |
| Enamine | EN300-131808-1.0g |
4,5,6,7-tetrahydro-1,3-benzothiazol-4-one |
70590-48-6 | 95% | 1g |
$841.0 | 2023-06-08 |
6,7-dihydro-5H-1,3-benzothiazol-4-one Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
Additional information on 6,7-dihydro-5H-1,3-benzothiazol-4-one
Professional Introduction to 6,7-dihydro-5H-1,3-benzothiazol-4-one (CAS No. 70590-48-6)
6,7-dihydro-5H-1,3-benzothiazol-4-one, identified by the Chemical Abstracts Service Number (CAS No.) 70590-48-6, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the benzothiazole family, a class of molecules known for their diverse biological activities and utility in drug development. The structural framework of 6,7-dihydro-5H-1,3-benzothiazol-4-one consists of a fused ring system comprising a benzene ring and a thiazole ring, connected by a carbonyl group at the 4-position. This unique structural configuration imparts distinct chemical and pharmacological properties, making it a valuable scaffold for synthetic chemistry and drug discovery initiatives.
The pharmacological relevance of 6,7-dihydro-5H-1,3-benzothiazol-4-one has been extensively explored in recent years. Its benzothiazole core is a privileged structure in medicinal chemistry, frequently incorporated into molecules with antimicrobial, anti-inflammatory, and anticancer properties. Notably, derivatives of benzothiazole have shown promise in targeting various disease pathways by interacting with specific biological receptors and enzymes. The presence of the carbonyl group in 6,7-dihydro-5H-1,3-benzothiazol-4-one enhances its potential for further functionalization, enabling the synthesis of novel analogs with tailored biological activities.
Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 6,7-dihydro-5H-1,3-benzothiazol-4-one and biological targets. Studies indicate that this compound can modulate key signaling pathways involved in inflammation and cell proliferation. For instance, research has suggested that derivatives of this scaffold may inhibit the activity of enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are pivotal in mediating inflammatory responses. Additionally, its ability to interact with DNA-binding proteins has been explored in the context of potential anticancer applications.
The synthetic accessibility of 6,7-dihydro-5H-1,3-benzothiazol-4-one makes it an attractive intermediate for medicinal chemists. Several synthetic routes have been reported in the literature, employing readily available starting materials and optimized protocols. These methods often involve cyclization reactions between appropriate precursors to construct the benzothiazole core. The versatility of this compound allows for modifications at various positions within the ring system, enabling the generation of a diverse library of derivatives for high-throughput screening.
In clinical research settings, 6,7-dihydro-5H-1,3-benzothiazol-4-one has been investigated as a potential lead compound for treating chronic inflammatory disorders. Preclinical studies have demonstrated its efficacy in reducing inflammation markers in animal models without significant side effects. The compound's ability to selectively target pathological pathways without compromising normal physiological functions makes it an appealing candidate for further development into therapeutic agents.
The role of 6,7-dihydro-5H-1,3-benzothiazol-4-one in drug development extends beyond its direct pharmacological effects. It serves as a versatile building block for more complex molecules designed to enhance bioavailability and target specificity. By incorporating this scaffold into larger structures, researchers can leverage its known biological properties while introducing novel functionalities to improve drug efficacy and safety profiles.
Emerging technologies such as biocatalysis and green chemistry have also influenced the synthesis and application of 6,7-dihydro-5H-1,3-benzothiazol-4-one. These approaches aim to reduce environmental impact while maintaining or improving reaction yields and selectivity. For example, enzymatic catalysis has been employed to introduce specific functional groups into the benzothiazole core with high precision.
The future prospects for 6,7-dihydro-5H-1,3-benzothiazol-4-one are promising, with ongoing research focusing on expanding its therapeutic applications. Investigations into its potential role in neurodegenerative diseases have recently gained traction due to its ability to cross the blood-brain barrier and interact with central nervous system receptors. Furthermore,exploration into its antimicrobial properties is underway,as resistant bacterial strains continue to pose significant challenges in global healthcare.
In summary,6,7-dihydro - 5 H - 1,3 - benzo thiazol - 4 - one ( CAS No . 70590 - 48 - 6) is a structurally intriguing compound with substantial pharmacological potential。 Its unique chemical properties, coupled with recent advances in synthetic methodologies, position it as a valuable asset in modern drug discovery。 As research progresses, this molecule is likely to play an increasingly important role in addressing unmet medical needs across multiple therapeutic areas。
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