2552-97-8 Usage
Uses
1. Used in Pharmaceutical Industry:
2-(3-Methyl-3H-imidazole-4-yl)quinoline is used as a pharmaceutical compound for its potential therapeutic applications. The expression is: 2-(3-Methyl-3H-imidazole-4-yl)quinoline is used as a pharmaceutical compound for its potential therapeutic applications.
2. Used in Chemical Research:
In the field of chemical research, 2-(3-Methyl-3H-imidazole-4-yl)quinoline serves as a valuable compound for studying the properties and behavior of imidazoylquinoline alkaloids. The expression is: 2-(3-Methyl-3H-imidazole-4-yl)quinoline is used as a research compound for studying the properties and behavior of imidazoylquinoline alkaloids.
3. Used in Drug Synthesis:
2-(3-Methyl-3H-imidazole-4-yl)quinoline can be utilized as a key intermediate in the synthesis of various drugs, particularly those targeting specific biological pathways. The expression is: 2-(3-Methyl-3H-imidazole-4-yl)quinoline is used as a key intermediate in drug synthesis for targeting specific biological pathways.
4. Used in Analytical Chemistry:
2-(3-Methyl-3H-imidazole-4-yl)quinoline can also be employed in analytical chemistry for the development of new methods and techniques for the identification and quantification of similar alkaloids. The expression is: 2-(3-Methyl-3H-imidazole-4-yl)quinoline is used as a reference compound in the development of analytical methods for the identification and quantification of similar alkaloids.
References
Arndt, Jordaan, Joynt.,J. Chem. Soc., 5969 (1964)
Mass spectrum:
Joynt et al., J. Chem. Soc., B, 980 (1966)
Check Digit Verification of cas no
The CAS Registry Mumber 2552-97-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,5 and 2 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 2552-97:
(6*2)+(5*5)+(4*5)+(3*2)+(2*9)+(1*7)=88
88 % 10 = 8
So 2552-97-8 is a valid CAS Registry Number.
InChI:InChI=1/C13H11N3/c1-16-9-14-8-13(16)12-7-6-10-4-2-3-5-11(10)15-12/h2-9H,1H3
2552-97-8Relevant academic research and scientific papers
Augmenting Adaptive Machine Learning with Kinetic Modeling for Reaction Optimization
Almeida, A. Filipa,Ataíde, Filipe A. P.,Loureiro, Rui M. S.,Moreira, Rui,Rodrigues, Tiago
, p. 14192 - 14198 (2021/07/28)
We combine random sampling and active machine learning (ML) to optimize the synthesis of isomacroin, executing only 3% of all possible Friedl?nder reactions. Employing kinetic modeling, we augment machine intuition by extracting mechanistic knowledge and
Revealing the Macromolecular Targets of Fragment-Like Natural Products
Rodrigues, Tiago,Reker, Daniel,Kunze, Jens,Schneider, Petra,Schneider, Gisbert
, p. 10516 - 10520 (2015/09/02)
Fragment-like natural products were identified as ligand-efficient chemical matter for hit-to-lead development and chemical-probe discovery. Relying on a computational method using a topological pharmacophore descriptor and a drug database, several macromolecular targets from distinct protein families were expeditiously retrieved for structurally unrelated chemotypes. The selected fragments feature structural dissimilarity to the reference compounds and suitable target affinity, and they offer opportunities for chemical optimization. Experimental confirmation of hitherto unknown macromolecular targets for the selected molecules corroborate the usefulness of the computational approach and suggests broad applicability to chemical biology and molecular medicine. Target acquired: Hitherto unknown macromolecular targets of the fragment-like natural products goitrin, isomacroin, and graveolinine were discovered through the use of a computational target-prediction tool tailored for natural products. The results suggest that such methods will find application in target discovery for natural products and could inspire the design of new chemical entities for chemical biology and molecular medicine.
