887115-53-9

Basic information

• Product Name: 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE
• Synonyms: 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE;1H-Pyrrolo[2,3-b]pyridine, 3-iodo-1-(phenylsulfonyl)-;1-Phenylsulfonyl-3-iodo-1H-pyrrolo[2,3-b]pyridine, 95%;3-Iodo-1-phenylsulfonyl-7-azaindole, 95%
• CAS NO: 887115-53-9
• Molecular Formula: C₁₃H₉IN₂O₂S
• Molecular Weight: 384.19223
• Mol File: 887115-53-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 529.9°C at 760 mmHg
• Flash Point: 274.3°C
• Appearance: /
• Density: 1.83g/cm³
• Vapor Pressure: 2.6E-11mmHg at 25°C
• Refractive Index: 1.735
• Sensitive: Light Sensitive
• CAS DataBase Reference: 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE(887115-53-9)
• EPA Substance Registry System: 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE(887115-53-9)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 887115-53-9(Hazardous Substances Data)

Usage

General Description

1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE is a chemical compound that belongs to the class of pyrrolopyridine derivatives. It is a heterocyclic organic compound containing a pyrrolopyridine core with a 1-benzenesulfonyl-3-iodo-1H substituent. 1-BENZENESULFONYL-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE has potential pharmacological and biological activities. It may be used in the synthesis of pharmaceutical drugs and in medicinal chemistry research. Its specific properties and potential applications may vary depending on its exact structure and formulation.

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

Upstream product

• 98-09-9 benzenesulfonyl chloride 
• 23616-57-1 3-iodo-1H-pyrrolo[2,3-b]pyridine 

Downstream Products

• 886547-94-0 1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine 
• 943324-07-0 3-Iodo-2-methyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine 
• 943323-74-8 2-chloro-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine 
• 1185904-08-8 3-(1H-Pyrrolo[2,3-b]pyridin-3-yl)benzonitrile 

Relevant articles and documents

From Synthetic Simplified Marine Metabolite Analogues to New Selective Allosteric Inhibitor of Aurora B Kinase

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.

TGF-BETA INHIBITORS

The present invention is directed to inhibitors of TGF-BETA of Formula (I).