Cas no 5790-71-6 (2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide)
2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
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- 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide
- 7-chloro-4-methyl-1,1-dioxo-1λ<sup>6</sup>,2,4-benzothiadiazin-3-one
- 7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide
- 7-Chlor-4-methyl-3-oxo-2,3-dihydro-4H-1.2.4-benzothiadiazin-1.1-dioxid
- 7-Chlor-4-methyl-3-oxodihydro-1,2,4-benzothiadiazin-1,1-dioxid
- 7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4H)
- 7-Chloro-4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
- DTXSID70650238
- CHEMBL4469385
- 5790-71-6
- A831667
- BDBM50519819
- MFCD09878049
- 7-chloro-4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
- 7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4h)-one-1,1-dioxide
- DB-242914
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- MDL: MFCD09878049
- Inchi: 1S/C8H7ClN2O3S/c1-11-6-3-2-5(9)4-7(6)15(13,14)10-8(11)12/h2-4H,1H3,(H,10,12)
- InChI Key: JIJQUHAXUWATKU-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)S(NC(N2C)=O)(=O)=O
Computed Properties
- Exact Mass: 245.98700
- Monoisotopic Mass: 245.987
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 378
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 0.9
- Topological Polar Surface Area: 74.9A^2
Experimental Properties
- Density: 1.96
- Boiling Point: 623.3°Cat760mmHg
- Flash Point: 330.8°C
- Refractive Index: 1.829
- PSA: 74.86000
- LogP: 2.66270
2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-284804-1g |
7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide, |
5790-71-6 | 1g |
¥4009.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-284804-1 g |
7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide, |
5790-71-6 | 1g |
¥4,009.00 | 2023-07-11 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1661768-250mg |
7-Chloro-4-methyl-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide |
5790-71-6 | 98% | 250mg |
¥1337.00 | 2024-05-08 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1661768-1g |
7-Chloro-4-methyl-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide |
5790-71-6 | 98% | 1g |
¥5577.00 | 2024-05-08 | |
| Crysdot LLC | CD11100689-1g |
7-Chloro-4-methyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide |
5790-71-6 | 95+% | 1g |
$603 | 2024-07-18 |
2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide Suppliers
2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
Additional information on 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide
Introduction to 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide (CAS No. 5790-71-6)
The compound 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide, identified by its CAS number 5790-71-6, represents a significant molecule in the realm of pharmaceutical and chemical research. This heterocyclic compound belongs to the benzothiadiazine class, a scaffold that has garnered considerable attention due to its versatile biological activities and structural properties. The presence of both chloro and methyl substituents, along with the unique dioxide moiety, contributes to its distinct chemical profile and potential applications.
Benzothiadiazines are a class of nitrogen-containing heterocycles that exhibit a broad spectrum of biological activities. These compounds are particularly noted for their pharmacological properties, including antimicrobial, anti-inflammatory, and anticancer effects. The specific substitution pattern in 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide enhances its interaction with biological targets, making it a promising candidate for further investigation in drug discovery.
Recent advancements in medicinal chemistry have highlighted the importance of benzothiadiazine derivatives in developing novel therapeutic agents. The structural features of this compound, such as the chloro and methyl groups, influence its electronic properties and reactivity. These attributes are crucial for designing molecules that can effectively modulate biological pathways. For instance, the chloro substituent can enhance binding affinity to enzymes or receptors, while the methyl group can influence metabolic stability.
In the context of current research, 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide has been explored for its potential in addressing various diseases. Studies have demonstrated its efficacy in inhibiting key enzymes involved in inflammation and cancer progression. The dioxide moiety further contributes to its stability and bioavailability, making it a suitable candidate for formulation into drugs or prodrugs.
The synthesis of this compound involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to optimize yield and purity. Techniques such as palladium-catalyzed cross-coupling reactions and transition-metal-catalyzed oxidations have been instrumental in constructing the benzothiadiazine core structure efficiently.
One of the notable aspects of 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide is its potential application in targeting specific disease pathways. For example, researchers have investigated its interaction with kinases and other signaling proteins that play a role in cancer development. The compound's ability to modulate these pathways suggests its therapeutic potential in oncology.
The pharmacokinetic properties of this molecule are also of interest. Its solubility profile and metabolic stability are critical factors that determine its effectiveness as a drug candidate. Computational studies have been used to predict how the compound behaves within biological systems. These simulations help in understanding its absorption, distribution, metabolism, excretion (ADME), and toxicity (ADMET) profiles.
Furthermore,the environmental impact of synthesizing and using this compound is an important consideration. Efforts have been made to develop greener synthetic routes that minimize waste and reduce energy consumption. Sustainable chemistry principles are being integrated into the production process to ensure environmental responsibility.
Collaborative research efforts between academic institutions and pharmaceutical companies have accelerated the development of novel benzothiadiazine derivatives like 2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-, 1,1-dioxide. These partnerships facilitate the translation of laboratory discoveries into clinical applications. Preclinical studies are underway to evaluate its safety and efficacy before human trials can begin.
The future prospects for this compound are promising. Ongoing research aims to expand its therapeutic applications by exploring new derivatives with enhanced properties. Innovations in drug delivery systems may also enhance its bioavailability and targeted action. As our understanding of disease mechanisms evolves, so does the potential for this class of compounds to contribute to medical breakthroughs.
In conclusion,2H-1,2,4-Benzothiadiazin-3(4H)-one,7-chloro-4-methyl-) ,11-dioxide (CAS No.5790—71—6) is a structurally interesting molecule with significant pharmaceutical potential。 Its unique chemical features make it a valuable tool for researchers studying inflammation、cancer、and other diseases。 As advancements continue in synthetic chemistry、computational biology,and drug development,this compound is poised to play an important role in future medical treatments。
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