Cas no 58842-61-8 (ethyl 1H-1,3-benzodiazole-5-carboxylate)
ethyl 1H-1,3-benzodiazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 1H-benzo[d]imidazole-5-carboxylate
- ethyl 1H-benzimidazole-5-carboxylate
- ethyl 1H-benzimidazole-5-carboxylate (IM OCS)
- 1-(1H-benzo[d]imidazol-5-yl)-2-ethoxyethanone
- 1H-Benzimidazole-5-carboxylicacid,ethylester(9CI)
- 1H-Benzimidazole-6-carboxylic acid ethyl ester
- ethyl 3H-benzimidazole-5-carboxylate
- 1(3)H-Benzimidazol-5-carbonsaeure-aethylester
- 1(3)H-benzimidazole-5-carboxylic acid ethyl ester
- 1H-Benzimidazole-5-carboxylic acid ethyl ester
- 5-Ethoxycarbonylbenzimidazole
- AGN-PC-00MU7V
- benzimidazole-5-carboxylic acid ethyl ester
- CTK5A8948
- ethyl benzimidazole-5-carboxylate
- ethyl-benzimidazole-5-carboxylate
- F9995-0112
- SureCN1965008
- SureCN1965011
- ethyl 1H-1,3-benzodiazole-5-carboxylate
- 58842-61-8
- benzimidazole-5-carboxylic ethyl ester
- Ethyl 1H-benzimidazole-6-carboxylate
- HUOIDCCHUGUZQS-UHFFFAOYSA-N
- ethyl1H-benzo[d]imidazole-5-carboxylate
- 1H-benzo[d]imidazole-6-carboxylic acid ethyl ester
- EN300-238259
- Ethyl-5-benzimidazole carboxylate
- MFCD09027455
- ethyl 3H-benzo[d]imidazole-5-carboxylate
- DTXSID40542494
- DB-072525
- BS-29170
- AKOS012534267
- SCHEMBL1965008
-
- MDL: MFCD09027455
- Inchi: 1S/C10H10N2O2/c1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
- InChI Key: HUOIDCCHUGUZQS-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=CC2=C(C=1)NC=N2)=O
Computed Properties
- Exact Mass: 190.0743
- Monoisotopic Mass: 190.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 220
- 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: 2
- Topological Polar Surface Area: 55?2
Experimental Properties
- Density: 1.272±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.48 g/l) (25 o C),
- PSA: 54.98
ethyl 1H-1,3-benzodiazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A061000232-5g |
Ethyl 1H-benzimidazole-5-carboxylate |
58842-61-8 | 98% | 5g |
$519.42 | 2023-09-01 | |
| Chemenu | CM277698-5g |
Ethyl 1H-benzo[d]imidazole-5-carboxylate |
58842-61-8 | 95% | 5g |
$284 | 2021-06-17 | |
| TRC | E926213-100mg |
Ethyl benzimidazole-5-carboxylate |
58842-61-8 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | E926213-250mg |
Ethyl benzimidazole-5-carboxylate |
58842-61-8 | 250mg |
$110.00 | 2023-05-18 | ||
| TRC | E926213-500mg |
Ethyl benzimidazole-5-carboxylate |
58842-61-8 | 500mg |
$161.00 | 2023-05-18 | ||
| TRC | E926213-1g |
Ethyl benzimidazole-5-carboxylate |
58842-61-8 | 1g |
$224.00 | 2023-05-18 | ||
| Apollo Scientific | OR954312-1g |
Ethyl benzimidazole-5-carboxylate |
58842-61-8 | 98% | 1g |
£125.00 | 2025-02-21 | |
| Apollo Scientific | OR954312-5g |
Ethyl benzimidazole-5-carboxylate |
58842-61-8 | 98% | 5g |
£395.00 | 2025-02-21 | |
| Crysdot LLC | CD11099180-5g |
Ethyl 1H-benzo[d]imidazole-5-carboxylate |
58842-61-8 | 95+% | 5g |
$301 | 2024-07-18 | |
| A2B Chem LLC | AG79801-1g |
Ethyl benzimidazole-5-carboxylate |
58842-61-8 | 98% | 1g |
$108.00 | 2024-04-19 |
ethyl 1H-1,3-benzodiazole-5-carboxylate Related Literature
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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
Additional information on ethyl 1H-1,3-benzodiazole-5-carboxylate
Recent Advances in the Study of Ethyl 1H-1,3-Benzodiazole-5-carboxylate (CAS: 58842-61-8) and Its Applications in Chemical Biology and Pharmaceutical Research
Ethyl 1H-1,3-benzodiazole-5-carboxylate (CAS: 58842-61-8) is a heterocyclic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its benzodiazole core and ester functional group, serves as a key intermediate in the synthesis of various bioactive molecules. Recent studies have explored its potential as a building block for drug development, particularly in the design of kinase inhibitors, antimicrobial agents, and fluorescent probes. This research brief aims to summarize the latest findings related to this compound, highlighting its synthetic utility, biological activities, and emerging applications.
One of the most notable advancements in the study of ethyl 1H-1,3-benzodiazole-5-carboxylate is its role in the synthesis of kinase inhibitors. Kinases are critical targets in cancer therapy, and researchers have leveraged the benzodiazole scaffold to develop potent and selective inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of this compound exhibit strong inhibitory activity against cyclin-dependent kinases (CDKs), which are implicated in cell cycle regulation. The study reported a novel series of compounds synthesized from ethyl 1H-1,3-benzodiazole-5-carboxylate, showing promising antiproliferative effects in vitro and in vivo. These findings underscore the compound's potential as a starting point for anticancer drug discovery.
In addition to its applications in oncology, ethyl 1H-1,3-benzodiazole-5-carboxylate has been investigated for its antimicrobial properties. A recent study in Bioorganic & Medicinal Chemistry Letters highlighted the compound's utility in designing new antibacterial agents. Researchers modified the benzodiazole core to enhance its interaction with bacterial enzymes, resulting in derivatives with potent activity against methicillin-resistant Staphylococcus aureus (MRSA). The study also explored the structure-activity relationship (SAR) of these derivatives, providing valuable insights for future drug optimization. These results suggest that ethyl 1H-1,3-benzodiazole-5-carboxylate could play a pivotal role in addressing the growing challenge of antibiotic resistance.
Beyond its therapeutic potential, ethyl 1H-1,3-benzodiazole-5-carboxylate has also found applications in chemical biology as a fluorescent probe. Its benzodiazole core exhibits unique photophysical properties, making it suitable for imaging and sensing applications. A 2022 study in ACS Chemical Biology reported the development of a benzodiazole-based fluorescent probe derived from this compound, which was used to detect reactive oxygen species (ROS) in live cells. The probe demonstrated high sensitivity and selectivity, enabling real-time monitoring of oxidative stress in biological systems. This innovation opens new avenues for studying cellular processes and disease mechanisms.
In conclusion, ethyl 1H-1,3-benzodiazole-5-carboxylate (CAS: 58842-61-8) continues to be a compound of great interest in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate, combined with its diverse biological activities, positions it as a valuable tool for drug discovery and development. Recent studies have expanded our understanding of its potential, from kinase inhibition and antimicrobial activity to fluorescent probing. As research progresses, this compound is likely to play an increasingly important role in addressing unmet medical needs and advancing scientific knowledge. Future work should focus on optimizing its derivatives for clinical translation and exploring novel applications in other therapeutic areas.
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