Cas no 677304-90-4 (Ethyl benzo[d]thiazole-7-carboxylate)
Ethyl benzo[d]thiazole-7-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl benzo[d]thiazole-7-carboxylate
- 7-Benzothiazolecarboxylic acid, ethyl ester
- 7-Benzothiazolecarboxylicacid,ethylester(9CI)
- ethyl 1,3-benzothiazole-7-carboxylate
- LogP
- DTXSID70663227
- F14041
- SCHEMBL262348
- 677304-90-4
- Ethylbenzo[d]thiazole-7-carboxylate
- DB-351651
-
- Inchi: 1S/C10H9NO2S/c1-2-13-10(12)7-4-3-5-8-9(7)14-6-11-8/h3-6H,2H2,1H3
- InChI Key: CCBMSBOPYYNCRL-UHFFFAOYSA-N
- SMILES: S1C=NC2=CC=CC(C(=O)OCC)=C12
Computed Properties
- Exact Mass: 207.03547
- Monoisotopic Mass: 207.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 222
- 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
- Topological Polar Surface Area: 67.4A^2
- XLogP3: 2.6
Experimental Properties
- Density: 1.29
- Boiling Point: 322.691°C at 760 mmHg
- Flash Point: 148.959°C
- Refractive Index: 1.627
- PSA: 39.19
Ethyl benzo[d]thiazole-7-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM155287-1g |
ethyl benzo[d]thiazole-7-carboxylate |
677304-90-4 | 95% | 1g |
$426 | 2021-06-08 | |
| Alichem | A059004467-1g |
Ethyl benzo[d]thiazole-7-carboxylate |
677304-90-4 | 95% | 1g |
$437.09 | 2023-09-01 | |
| Chemenu | CM155287-1g |
ethyl benzo[d]thiazole-7-carboxylate |
677304-90-4 | 95% | 1g |
$*** | 2023-05-29 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1740538-1g |
Ethyl benzo[d]thiazole-7-carboxylate |
677304-90-4 | 98% | 1g |
¥4651.00 | 2024-05-04 | |
| Crysdot LLC | CD11073963-1g |
Ethyl benzo[d]thiazole-7-carboxylate |
677304-90-4 | 95+% | 1g |
$451 | 2024-07-18 |
Ethyl benzo[d]thiazole-7-carboxylate Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
Additional information on Ethyl benzo[d]thiazole-7-carboxylate
Recent Advances in the Study of Ethyl benzo[d]thiazole-7-carboxylate (CAS: 677304-90-4)
Ethyl benzo[d]thiazole-7-carboxylate (CAS: 677304-90-4) has recently emerged as a compound of significant interest in chemical biology and pharmaceutical research. This heterocyclic compound, featuring a benzo[d]thiazole core with an ester functional group, has demonstrated promising biological activities and synthetic utility. Recent studies have explored its potential as a building block for drug discovery and its intrinsic pharmacological properties.
A 2023 study published in the Journal of Medicinal Chemistry investigated the compound's role as a key intermediate in the synthesis of novel kinase inhibitors. Researchers utilized Ethyl benzo[d]thiazole-7-carboxylate as a precursor to develop potent and selective inhibitors targeting specific cancer-related kinases. The study reported remarkable improvements in both potency (IC50 values in the low nanomolar range) and selectivity profiles compared to previous generations of inhibitors.
In the field of antimicrobial research, a 2024 paper in Bioorganic Chemistry demonstrated that derivatives of Ethyl benzo[d]thiazole-7-carboxylate exhibited significant activity against drug-resistant bacterial strains. The researchers systematically modified the ester group and thiazole ring, identifying several analogs with broad-spectrum antibacterial properties. Particularly noteworthy was the compound's effectiveness against methicillin-resistant Staphylococcus aureus (MRSA), with MIC values comparable to current frontline antibiotics.
Recent synthetic methodology developments have also highlighted the versatility of 677304-90-4. A 2023 publication in Organic Letters described a novel palladium-catalyzed cross-coupling reaction using Ethyl benzo[d]thiazole-7-carboxylate as a coupling partner. This method enabled efficient construction of complex heterocyclic systems with potential pharmaceutical applications, demonstrating excellent yields (85-92%) and functional group tolerance.
Pharmacokinetic studies published in early 2024 have begun to address the ADME (Absorption, Distribution, Metabolism, and Excretion) properties of Ethyl benzo[d]thiazole-7-carboxylate derivatives. These investigations revealed favorable metabolic stability in human liver microsomes and moderate plasma protein binding, suggesting good drug-like properties for further development. The studies also identified specific metabolic soft spots that could guide future structural optimization efforts.
Ongoing research continues to explore the therapeutic potential of this compound class, with particular attention to its application in neurological disorders and inflammatory diseases. Preliminary results from cell-based assays suggest modulatory effects on key inflammatory pathways, though detailed mechanism-of-action studies are still underway. The unique structural features of Ethyl benzo[d]thiazole-7-carboxylate appear to contribute to its diverse biological activities, making it a valuable scaffold for medicinal chemistry programs.
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