Cas no 72459-53-1 (1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]-)
1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]-
- 2-(2-IMIDAZOL-1-YL-ETHYL)-ISOINDOLE-1,3-DIONE
- 2-(2-imidazol-1-ylethyl)isoindole-1,3-dione
- 2-[2-(1H-Imidazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
- AC-20615
- 2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
- CS-0258504
- CHEMBL168448
- 1H-isoindole-1,3(2H)-dione, 2-[2-(1H-imidazol-1-yl)ethyl]-
- AKOS015965201
- SCHEMBL7436067
- BVRXXBNZYYMNMI-UHFFFAOYSA-N
- 2-(2-Imidazol-1-ylethyl)isoindoline 1,3-dione
- 72459-53-1
- 2-(2-(1H-Imidazol-1-yl)ethyl)isoindoline-1,3-dione
- Z203971832
- InChI=1/C13H11N3O2/c17-12-10-3-1-2-4-11(10)13(18)16(12)8-7-15-6-5-14-9-15/h1-6,9H,7-8H
- DTXSID40348958
- 2-(2-Imidazol-1-yl-ethyl)isoindole-1,3-dione
- EN300-7032983
- MLS001181033
- SMR000477860
- HMS2842F19
-
- Inchi: 1S/C13H11N3O2/c17-12-10-3-1-2-4-11(10)13(18)16(12)8-7-15-6-5-14-9-15/h1-6,9H,7-8H2
- InChI Key: BVRXXBNZYYMNMI-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC=2C(N1CCN1C=NC=C1)=O
Computed Properties
- Exact Mass: 241.08523
- Monoisotopic Mass: 241.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 334
- 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: nothing
- XLogP3: 0.6
- Topological Polar Surface Area: 55.2?2
Experimental Properties
- Density: 1.36
- Boiling Point: 464.6°C at 760 mmHg
- Flash Point: 234.8°C
- Refractive Index: 1.686
- PSA: 55.2
1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-7032983-0.05g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 0.05g |
$101.0 | 2025-03-21 | |
| Enamine | EN300-7032983-0.1g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 0.1g |
$152.0 | 2025-03-21 | |
| Enamine | EN300-7032983-0.25g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 0.25g |
$216.0 | 2025-03-21 | |
| Enamine | EN300-7032983-0.5g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 0.5g |
$407.0 | 2025-03-21 | |
| Enamine | EN300-7032983-1.0g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 1.0g |
$528.0 | 2025-03-21 | |
| Enamine | EN300-7032983-2.5g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 2.5g |
$1034.0 | 2025-03-21 | |
| Enamine | EN300-7032983-5.0g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 5.0g |
$1530.0 | 2025-03-21 | |
| Enamine | EN300-7032983-10.0g |
2-[2-(1H-imidazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
72459-53-1 | 95.0% | 10.0g |
$2269.0 | 2025-03-21 | |
| Aaron | AR00FBXE-50mg |
2-(2-IMIDAZOL-1-YL-ETHYL)-ISOINDOLE-1,3-DIONE |
72459-53-1 | 95% | 50mg |
$164.00 | 2025-02-14 | |
| Aaron | AR00FBXE-100mg |
2-(2-IMIDAZOL-1-YL-ETHYL)-ISOINDOLE-1,3-DIONE |
72459-53-1 | 95% | 100mg |
$234.00 | 2025-02-14 |
1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]- Related Literature
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Additional information on 1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]-
Professional Introduction to Compound with CAS No 72459-53-1 and Product Name: 1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]-
The compound identified by the CAS number 72459-53-1 and the product name 1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]- represents a significant advancement in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its intricate molecular structure, has garnered considerable attention due to its potential applications in drug discovery and therapeutic development. The isoindole core and the imidazole moiety present in its structure are particularly noteworthy, as they contribute to its unique chemical properties and biological activities.
Recent studies have highlighted the importance of 1H-Isoindole-1,3(2H)-diones as versatile scaffolds in medicinal chemistry. These compounds exhibit a range of pharmacological effects, making them valuable candidates for the development of novel therapeutic agents. The presence of the 2-[2-(1H-imidazol-1-yl)ethyl] substituent in this particular compound further enhances its pharmacological profile. This group introduces a polar, nitrogen-rich moiety that can interact with biological targets in multiple ways, potentially leading to enhanced binding affinity and selectivity.
The chemical synthesis of this compound involves a series of well-defined steps that showcase the ingenuity of modern organic chemistry. The formation of the isoindole ring system is a critical step, requiring precise control over reaction conditions to ensure high yield and purity. Subsequent functionalization with the imidazole ethyl chain adds complexity but also opens up new avenues for biological evaluation. Advanced synthetic techniques, such as transition-metal-catalyzed cross-coupling reactions, have been employed to streamline these processes, making large-scale production more feasible.
In terms of biological activity, preliminary investigations suggest that this compound exhibits promising properties as an inhibitor of certain enzymes implicated in inflammatory and infectious diseases. The isoindole-dione core is known to interfere with enzyme-protein interactions by occupying critical binding pockets. Additionally, the imidazole group can modulate receptor activity through hydrogen bonding and ionic interactions. These characteristics make it an attractive candidate for further exploration in drug discovery pipelines.
The pharmacokinetic profile of this compound is another area of interest. Studies indicate that it possesses favorable solubility and stability properties, which are essential for its formulation into effective pharmaceutical products. Furthermore, preliminary toxicity assessments have shown that it is well-tolerated at relevant doses, suggesting potential for safe clinical use. These findings are crucial for advancing this compound into preclinical and clinical trials.
Advances in computational chemistry have also played a pivotal role in understanding the behavior of this compound. Molecular modeling techniques allow researchers to predict how it interacts with biological targets at the atomic level. This information is invaluable for designing derivatives with improved properties. By leveraging machine learning algorithms and large datasets, scientists can accelerate the process of identifying lead compounds for further development.
The broader significance of this compound lies in its contribution to the growing library of heterocyclic molecules with therapeutic potential. Heterocycles are ubiquitous in natural products and pharmaceuticals due to their ability to mimic biological structures and functionalities. The unique combination of an isoindole-dione framework with an imidazole ethyl side chain positions this compound as a promising candidate for addressing unmet medical needs.
Future research directions include exploring derivatives of this compound that may exhibit enhanced efficacy or reduced side effects. Additionally, investigating its mechanism of action will provide deeper insights into its therapeutic potential. Collaborative efforts between synthetic chemists, biochemists, and pharmacologists are essential to translate these findings into tangible benefits for patients worldwide.
In conclusion, the compound with CAS No 72459-53-1 and the product name 1H-Isoindole-1,3(2H)-dione,2-[2-(1H-imidazol-1-yl)ethyl]- represents a significant milestone in chemical biology and pharmaceutical research. Its unique structure, promising biological activities, and favorable pharmacokinetic properties make it a valuable asset in the quest for novel therapeutic agents. As research continues to uncover new applications for this compound, it holds great promise for improving human health and well-being.
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