Cas no 847744-15-4 (2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid)
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
- 2-(4-ETHYLPHENYL)THIAZOLE-4-CARBOXYLICACID
- Z94601310
- SCHEMBL14301138
- DTXSID501253673
- 847744-15-4
- EN300-13725
- CS-0233937
- AKOS009016336
- 2-(4-ETHYLPHENYL)THIAZOLE-4-CARBOXYLIC ACID
- MFCD07324809
- AB30602
- 4-Thiazolecarboxylic acid, 2-(4-ethylphenyl)-
-
- MDL: MFCD07324809
- Inchi: 1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
- InChI Key: OKIXVEUDAQRHLQ-UHFFFAOYSA-N
- SMILES: S1C=C(C(=O)O)N=C1C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 233.05104977Da
- Monoisotopic Mass: 233.05104977Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 3.3
- Topological Polar Surface Area: 78.4?2
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM472033-1g |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
847744-15-4 | 95%+ | 1g |
$70 | 2023-01-04 | |
| Chemenu | CM472033-5g |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
847744-15-4 | 95%+ | 5g |
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| abcr | AB332472-1 g |
2-(4-Ethylphenyl)thiazole-4-carboxylic acid, 95%; . |
847744-15-4 | 95% | 1 g |
€155.50 | 2023-07-19 | |
| eNovation Chemicals LLC | Y1238141-250mg |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
847744-15-4 | 97% | 250mg |
$155 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1238141-1g |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
847744-15-4 | 97% | 1g |
$190 | 2024-06-06 | |
| Enamine | EN300-13725-0.05g |
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847744-15-4 | 95% | 0.05g |
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| Enamine | EN300-13725-0.1g |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
847744-15-4 | 95% | 0.1g |
$21.0 | 2023-02-09 | |
| Enamine | EN300-13725-0.25g |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
847744-15-4 | 95% | 0.25g |
$29.0 | 2023-02-09 | |
| Enamine | EN300-13725-0.5g |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
847744-15-4 | 95% | 0.5g |
$46.0 | 2023-02-09 | |
| Enamine | EN300-13725-1.0g |
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847744-15-4 | 95% | 1.0g |
$60.0 | 2023-02-09 |
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
Additional information on 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
Introduction to 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid (CAS No. 847744-15-4)
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid, identified by the CAS number 847744-15-4, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This heterocyclic organic compound belongs to the thiazole family, a class of molecules widely recognized for their diverse biological activities and utility in drug development. The structural framework of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid incorporates a thiazole ring system linked to a phenyl group substituted with an ethyl moiety, and terminated with a carboxylic acid functional group at the 4-position. Such structural motifs are frequently explored in medicinal chemistry due to their potential to interact with biological targets in unique ways.
The synthesis of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid involves multi-step organic reactions that typically begin with the formation of the thiazole core. The introduction of the phenyl and ethyl substituents follows, with careful consideration given to regioselectivity to ensure the correct positioning of the carboxylic acid group. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions or nucleophilic substitutions, are often employed to achieve high yields and purity. The final step involves carboxylation at the 4-position, which can be accomplished through oxidation or direct functionalization techniques.
Recent advancements in computational chemistry have enhanced the understanding of how 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid interacts with biological systems. Molecular modeling studies have revealed that its structural features allow it to bind effectively to various protein targets, including enzymes and receptors implicated in diseases such as cancer and inflammation. The presence of both hydrophobic and polar regions in its structure facilitates favorable interactions with biological membranes and aqueous environments within cells.
In the context of drug discovery, 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid has been investigated for its potential pharmacological effects. Preliminary in vitro studies suggest that this compound exhibits inhibitory activity against certain enzymes associated with metabolic pathways relevant to neurodegenerative disorders. The thiazole ring is known to modulate enzyme function through its ability to engage hydrogen bonding networks and hydrophobic pockets within active sites. Additionally, the phenyl ethyl side chain may contribute to allosteric regulation by interacting with distant regions of the target protein.
The carboxylic acid functionality at the 4-position of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid provides an opportunity for further derivatization, enabling the creation of analogs with enhanced pharmacokinetic properties or altered biological specificity. For instance, esterification or amidation of this carboxylic group can yield derivatives that exhibit improved solubility or stability in biological systems. Such modifications are critical for optimizing drug candidates for therapeutic use.
Current research trends indicate that heterocyclic compounds like 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid continue to be a rich source of inspiration for novel drug candidates. The integration of machine learning algorithms into virtual screening processes has accelerated the identification of promising scaffolds for further investigation. By leveraging large datasets of chemical structures and biological responses, researchers can predict the potential efficacy of compounds like 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid before committing resources to experimental validation.
The versatility of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid extends beyond its role as a standalone therapeutic agent; it also serves as a valuable building block for more complex molecules. Its structural components can be incorporated into larger scaffolds designed to target multiple disease pathways simultaneously—a strategy known as polypharmacology—which may offer advantages over single-target drugs in terms of efficacy and reduced side effects.
Future directions in the study of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid may involve exploring its derivatives in preclinical models to assess their safety and efficacy profiles. Collaborative efforts between synthetic chemists and biologists will be essential in translating laboratory findings into tangible therapeutic benefits. Furthermore, advancements in bioprocessing techniques could enable scalable production methods for this compound and its derivatives, facilitating their transition into clinical trials.
In summary,2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid (CAS No. 847744-15-4) represents a compelling example of how structural complexity can be leveraged to develop novel pharmacological entities. Its unique combination of chemical features positions it as a promising candidate for further exploration in medicinal chemistry research. As our understanding of biological systems continues to evolve,2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid and related compounds are likely to play an increasingly important role in addressing complex diseases through innovative therapeutic approaches.
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