Cas no 1373137-76-8 (7-Formyl-1-methyl-1H-indole-3-carbonitrile)
7-Formyl-1-methyl-1H-indole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 7-Formyl-1-methyl-1H-indole-3-carbonitrile
- 7-formyl-1-methylindole-3-carbonitrile
- SCHEMBL15140373
- DB-170415
- 1373137-76-8
- CS-0445386
-
- Inchi: 1S/C11H8N2O/c1-13-6-9(5-12)10-4-2-3-8(7-14)11(10)13/h2-4,6-7H,1H3
- InChI Key: WQMNXQASKZTSEG-UHFFFAOYSA-N
- SMILES: O=CC1=CC=CC2C(C#N)=CN(C)C=21
Computed Properties
- Exact Mass: 184.063662883g/mol
- Monoisotopic Mass: 184.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 280
- 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: 1.2
- Topological Polar Surface Area: 45.8?2
7-Formyl-1-methyl-1H-indole-3-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A199006838-1g |
7-Formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 1g |
$653.82 | 2022-04-02 | |
| Chemenu | CM147473-1g |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 1g |
$745 | 2021-08-05 | |
| Chemenu | CM147473-1g |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 1g |
$*** | 2023-03-31 | |
| Ambeed | A531259-1g |
7-Formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 98+% | 1g |
$629.0 | 2024-04-24 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ5427-100mg |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 100mg |
¥1042.0 | 2024-04-24 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ5427-250mg |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 250mg |
¥1661.0 | 2024-04-24 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ5427-500mg |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 500mg |
¥2769.0 | 2024-04-24 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ5427-1g |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 1g |
¥4154.0 | 2024-04-24 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ5427-5g |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 5g |
¥12464.0 | 2024-04-24 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ5427-100MG |
7-formyl-1-methyl-1H-indole-3-carbonitrile |
1373137-76-8 | 95% | 100MG |
¥ 1,042.00 | 2023-03-31 |
7-Formyl-1-methyl-1H-indole-3-carbonitrile Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
Additional information on 7-Formyl-1-methyl-1H-indole-3-carbonitrile
Introduction to 7-Formyl-1-methyl-1H-indole-3-carbonitrile (CAS No. 1373137-76-8)
7-Formyl-1-methyl-1H-indole-3-carbonitrile, identified by the Chemical Abstracts Service Number (CAS No.) 1373137-76-8, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the indole family, a structural motif widely recognized for its biological activity and therapeutic potential. The presence of both a formyl group and a nitrile group in its molecular structure imparts unique reactivity, making it a valuable intermediate in the synthesis of more complex molecules.
The indole core is a privileged scaffold in drug discovery, with numerous pharmacologically active agents derived from it. The specific substitution pattern in 7-formyl-1-methyl-1H-indole-3-carbonitrile positions it as a versatile building block for the development of novel therapeutic agents. The formyl group (–CHO) is a key functional moiety that can participate in condensation reactions, forming Schiff bases or undergoing oxidation-reduction processes, while the nitrile group (–CN) can be hydrolyzed to a carboxylic acid or converted into other functional groups via various chemical transformations.
In recent years, there has been growing interest in indole derivatives as potential candidates for treating various diseases, including cancer, neurodegenerative disorders, and infectious diseases. The structural features of 7-formyl-1-methyl-1H-indole-3-carbonitrile make it an attractive candidate for further exploration in medicinal chemistry. Specifically, the formyl group can be used to introduce linkages with nucleophiles, while the nitrile group offers opportunities for further derivatization into amides or carboxylic acids.
One of the most compelling aspects of this compound is its potential as a precursor for biologically active molecules. For instance, indole derivatives have been shown to exhibit antimicrobial, anti-inflammatory, and anticancer properties. The combination of a formyl group and a nitrile group in 7-formyl-1-methyl-1H-indole-3-carbonitrile suggests that it could be used to develop compounds with enhanced bioactivity. This is particularly relevant in the context of recent studies demonstrating the efficacy of indole-based molecules in modulating immune responses and inhibiting tumor growth.
Recent advances in computational chemistry and molecular modeling have further highlighted the importance of 7-formyl-1-methyl-1H-indole-3-carbonitrile as a lead compound. These tools allow researchers to predict how modifications to its structure might affect its biological activity. For example, computational studies have suggested that introducing additional substituents at specific positions on the indole ring could enhance binding affinity to target proteins. This underscores the need for systematic exploration of derivatives of this compound.
The synthesis of 7-formyl-1-methyl-1H-indole-3-carbonitrile involves multi-step organic transformations that highlight its synthetic utility. The indole scaffold can be accessed through various synthetic routes, including cyclization reactions and palladium-catalyzed cross-coupling reactions. Once the indole core is established, functionalization at the 7-position with a formyl group and at the 3-position with a nitrile group can be achieved using well-established chemical methodologies.
In the realm of drug development, intermediates like 7-formyl-1-methyl-1H-indole-3-carbonitrile play a crucial role in streamlining the discovery process. Their modular structure allows for rapid diversification of molecular libraries, enabling high-throughput screening and virtual ligand docking studies. Such approaches are increasingly employed in modern drug discovery pipelines to identify promising candidates for further optimization.
The pharmacological profile of derivatives derived from 7-formyl-1-methyl-1H-indole-3-carbonitrile remains an area of active investigation. Preliminary studies have suggested that certain modifications can lead to compounds with improved pharmacokinetic properties, such as enhanced solubility or reduced toxicity. These findings are particularly encouraging given the challenges associated with developing new drugs that meet stringent safety and efficacy criteria.
From a broader perspective, compounds like 7-formyl-1-methyl-1H-indole-3-carbonitrile exemplify the importance of heterocyclic chemistry in medicinal innovation. The indole scaffold is not only biologically relevant but also synthetically accessible, making it an ideal platform for generating structurally diverse libraries. As research continues to uncover new biological targets and mechanisms, compounds derived from this class are likely to remain at the forefront of therapeutic development.
The future direction of research on 7-formyl-1-methyl-1H-indole-3-carbonitrile will likely focus on expanding its applications in drug discovery and exploring novel synthetic pathways. Advances in green chemistry principles may also influence how this compound is synthesized, with an emphasis on sustainable methodologies that minimize waste and energy consumption. Such efforts align with global initiatives to promote environmentally responsible chemical research.
In conclusion,7-formyl-1-methyl-1H-indole-3-carbonitrile (CAS No. 1373137-76-8) represents a promising intermediate in pharmaceutical chemistry with significant potential for developing new therapeutic agents. Its unique structural features and reactivity make it an attractive candidate for further exploration by researchers interested in medicinal biology and drug discovery.
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