887115-53-9 Usage
Uses
Used in Pharmaceutical Drug Synthesis:
1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE is used as a key intermediate in the synthesis of pharmaceutical drugs due to its unique chemical structure and potential biological activities. Its incorporation into drug molecules can enhance their therapeutic effects and target specific biological pathways.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE serves as a valuable compound for research purposes. It can be used to investigate the structure-activity relationships of pyrrolopyridine derivatives and to develop novel therapeutic agents with improved efficacy and selectivity.
Used in Drug Design and Optimization:
1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE is utilized in drug design and optimization processes to create new chemical entities with desired pharmacological properties. Its unique structural features can be exploited to modulate the activity, selectivity, and pharmacokinetic profile of drug candidates, leading to the development of more effective and safer medications.
Used in Target Identification and Validation:
In the context of target identification and validation, 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE can be employed as a tool compound to probe the biological relevance of specific molecular targets. Its interaction with these targets can provide insights into the underlying mechanisms of disease and help in the identification of novel therapeutic targets for drug discovery.
Used in Chemical Biology and High-Throughput Screening:
1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE can be applied in chemical biology studies and high-throughput screening assays to identify potential bioactive molecules and evaluate their effects on cellular processes. Its unique chemical properties can facilitate the discovery of new biological pathways and the development of targeted therapeutic strategies.
Check Digit Verification of cas no
The CAS Registry Mumber 887115-53-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,7,1,1 and 5 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 887115-53:
(8*8)+(7*8)+(6*7)+(5*1)+(4*1)+(3*5)+(2*5)+(1*3)=199
199 % 10 = 9
So 887115-53-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H9IN2O2S/c14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10/h1-9H
887115-53-9Relevant academic research and scientific papers
From Synthetic Simplified Marine Metabolite Analogues to New Selective Allosteric Inhibitor of Aurora B Kinase
Juillet, Charlotte,Ermolenko, Ludmila,Boyarskaya, Dina,Baratte, Blandine,Josselin, Béatrice,Nedev, Hristo,Bach, Stéphane,Iorga, Bogdan I.,Bignon, Jér?me,Ruchaud, Sandrine,Al-Mourabit, Ali
supporting information, p. 1197 - 1219 (2021/02/05)
Significant inhibition of Aurora B was achieved by the synthesis of simplified fragments of benzosceptrins and oroidin belonging to the marine pyrrole-2-aminoimidazoles metabolites isolated from sponges. Evaluation of kinase inhibition enabled the discovery of a synthetically accessible rigid acetylenic structural analogue EL-228 (1), whose structure could be optimized into the potent CJ2-150 (37). Here we present the synthesis of new inhibitors of Aurora B kinase, which is an important target for cancer therapy through mitosis regulation. The biologically oriented synthesis yielded several nanomolar inhibitors. The optimized compound CJ2-150 (37) showed a non-ATP competitive allosteric mode of action in a mixed-type inhibition for Aurora B kinase. Molecular docking identified a probable binding mode in the allosteric site "F"and highlighted the key interactions with the protein. We describe the improvement of the inhibitory potency and specificity of the novel scaffold as well as the characterization of the mechanism of action.
INHIBITORS OF Akt ACTIVITY
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Page/Page column 52-53, (2010/11/27)
Invented are novel thiophene compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.
TGF-BETA INHIBITORS
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Page/Page column 23, (2008/06/13)
The present invention is directed to inhibitors of TGF-BETA of Formula (I).