Cas no 107611-11-0 (Benzothiazole,5-chloro-2-ethyl-)
Benzothiazole,5-chloro-2-ethyl- Chemical and Physical Properties
Names and Identifiers
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- Benzothiazole,5-chloro-2-ethyl-
- Benzothiazole, 5-chloro-2-ethyl- (9CI)
- SCHEMBL9892808
- AKOS006309855
- 5-chloro-2-ethylbenzo[d]thiazole
- 107611-11-0
- 5-Chloro-2-ethyl-1,3-benzothiazole
-
- Inchi: 1S/C9H8ClNS/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3
- InChI Key: FHNDWGLSMGUUPO-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)N=C(CC)S2
Computed Properties
- Exact Mass: 197.00674
- Monoisotopic Mass: 197.0065981g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 3.8
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 12.89
Benzothiazole,5-chloro-2-ethyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM485306-1g |
5-Chloro-2-ethylbenzo[d]thiazole |
107611-11-0 | 97% | 1g |
$1071 | 2023-11-25 |
Benzothiazole,5-chloro-2-ethyl- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Additional information on Benzothiazole,5-chloro-2-ethyl-
Benzothiazole,5-chloro-2-ethyl- and Its Significance in Modern Chemical Biology
Benzothiazole,5-chloro-2-ethyl- (CAS No. 107611-11-0) is a heterocyclic compound that has garnered significant attention in the field of chemical biology due to its unique structural and pharmacological properties. This compound belongs to the benzothiazole family, which is known for its broad spectrum of biological activities, including antimicrobial, anti-inflammatory, and anticancer effects. The presence of both chloro and ethyl substituents in the benzothiazole core enhances its chemical reactivity and biological potency, making it a valuable scaffold for drug discovery and development.
The< strong>benzothiazole scaffold is a fused ring system consisting of a benzene ring and a thiazole ring, connected at the 2-5 positions. This structural motif is found in numerous bioactive molecules, highlighting its importance in medicinal chemistry. The< strong>5-chloro-2-ethyl derivative of benzothiazole has been extensively studied for its potential therapeutic applications. The chlorine atom at the 5-position introduces a polar region that can interact with biological targets, while the ethyl group at the 2-position adds bulk and influences the compound's solubility and metabolic stability.
Recent advancements in chemical biology have highlighted the< strong>pharmacological significance of benzothiazole derivatives. Studies have demonstrated that these compounds can modulate various biological pathways by interacting with specific enzymes and receptors. For instance,< strong>Benzothiazole,5-chloro-2-ethyl has been shown to inhibit the activity of certain kinases, which are key players in cancer cell proliferation. Additionally, it has exhibited promising effects against infectious diseases by targeting bacterial enzymes essential for their survival.
The< strong>synthesis of< strong>Benzothiazole,5-chloro-2-ethyl involves multi-step organic reactions that require precise control over reaction conditions to achieve high yields and purity. Common synthetic routes include cyclization reactions followed by functional group transformations such as chlorination and alkylation. The use of advanced catalytic systems has further improved the efficiency of these synthetic processes, enabling the production of large quantities of the compound for research and industrial applications.
In vitro studies have revealed that< strong>Benzothiazole,5-chloro-2-ethyl possesses remarkable< strong>biological activity. It has been found to exhibit potent antimicrobial properties against a range of bacteria, including multidrug-resistant strains. This makes it a promising candidate for developing novel antibiotics to combat emerging infectious diseases. Furthermore, preclinical studies have shown that this compound can induce apoptosis in cancer cells by disrupting critical cellular signaling pathways.
The< strong>drug discovery process often involves screening large libraries of compounds for their biological activity. Benzothiazole derivatives, including< strong>Benzothiazole,5-chloro-2-ethyl, are frequently included in these screens due to their known bioactivity. High-throughput screening techniques have enabled researchers to identify lead compounds that can be further optimized into effective drugs. Computational methods such as molecular docking have also been employed to predict the binding affinity of these compounds to target proteins, facilitating the rational design of new derivatives.
The< strong>pharmacokinetic properties of< strong>Benzothiazole,5-chloro-2-ethyl are another critical aspect of its potential as a therapeutic agent. Studies have investigated its absorption, distribution, metabolism, and excretion (ADME) profiles to understand how it behaves within the body. These studies have provided insights into how modifications to the molecular structure can improve pharmacokinetic properties, leading to more effective drug candidates.
The< strong>future directions in research on< strong>Benzothiazole derivatives are promising and multifaceted. One area of focus is the development of novel synthetic methodologies that can produce complex derivatives with enhanced biological activity. Another key direction is the exploration of new therapeutic applications through interdisciplinary approaches combining chemistry, biology, and medicine. Additionally, advances in biotechnology have opened up possibilities for using genetically engineered organisms to produce these compounds more efficiently.
In conclusion,< strong>Benzothiazole,5-chloro-2-ethyl (CAS No. 107611-11-0) is a versatile compound with significant potential in chemical biology and drug discovery. Its unique structure and bioactivity make it a valuable tool for developing new therapeutic agents against various diseases. As research continues to uncover new applications and improve synthetic methods, this compound is poised to play an increasingly important role in modern medicine.
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