127168-77-8

Basic information

• Product Name: 5-Chloro-2-[(4-methylphenyl)sulfonyl]isoindoline
• Synonyms: 5-Chloro-2-[(4-methylphenyl)sulfonyl]isoindoline
• CAS NO: 127168-77-8
• Molecular Weight: 307.801
• Mol File: 127168-77-8.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: 5-Chloro-2-[(4-methylphenyl)sulfonyl]isoindoline(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Chloro-2-[(4-methylphenyl)sulfonyl]isoindoline(127168-77-8)
• EPA Substance Registry System: 5-Chloro-2-[(4-methylphenyl)sulfonyl]isoindoline(127168-77-8)

Safety Data

• Hazardous Substances Data: 127168-77-8(Hazardous Substances Data)

Upstream product

• 615-60-1 4-chloro-1,2-dimethylbenzene 
• 31684-14-7 1,2-bis(bromomethyl)-4-chlorobenzene 
• 70-55-3 toluene-4-sulfonamide 

Downstream Products

• 127168-76-7 5-chloro-2,3-dihydro-1H-isoindole 
• 912999-79-2 5-chloro-2,3-dihydro-1H-isoindole hydrochloride 

Relevant articles and documents

FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF

The present invention relates to a fluoroallylamine derivative and use thereof. In particular, the present invention relates to a compound as shown in Formula I, a prodrug, an isomer, an isotope-labeled compound, a solvate or a pharmaceutically acceptable salt thereof, which has VAP-1/SSAO inhibitory activity, and can be used for treating a disease associated with VAP-1/SSAO overactivity.

Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1- ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design

Inhibitors of the molecular chaperone heat shock protein 90 (Hsp90) are currently generating significant interest in clinical development as potential treatments for cancer. In a preceding publication (DOI: 10.1021/jm100059d) we describe Astex's approach to screening fragments against Hsp90 and the subsequent optimization of two hits into leads with inhibitory activities in the low nanomolar range. This paper describes the structure guided optimization of the 2,4-dihydroxybenzamide lead molecule 1 and details some of the drug discovery strategies employed in the identification of AT13387 (35), which has progressed through preclinical development and is currently being tested in man.

PHARMACEUTICAL COMBINATIONS

The invention provides combinations comprising (or consisting essentially of) one or more ancillary compound(s) and a compound of the formula (I): or salts, tautomers, solvates and N-oxides thereof; wherein R1 is hydroxy or hydrogen; R2 is hydroxy; methoxy or hydrogen; provided that at least one of R1 and R2 is hydroxy; R3 is selected from hydrogen; halogen; cyano; optionally substituted C1-5 hydrocarbyl and optionally substituted C1-5 hydrocarbyloxy; R4 is selected from hydrogen; a group -(O)n-R7 where n is 0 or 1 and R7 is an optionally substituted acyclic C1-5 hydrocarbyl group or a monocyclic carbocyclic or heterocyclic group having 3 to 7 ring members; halogen; cyano; hydroxy; amino; and optionally substituted mono- or di-C1-5 hydrocarbyl-amino; or R3 and R4 together form a monocyclic carbocyclic or heterocyclic ring of 5 to 7 ring members; and NR5R6 forms an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 ring members are heteroatoms selected from oxygen, nitrogen and sulphur. The combinations have activity as Hsp90 and/or glycogen synthase kinase-3 and/or cyclin dependent kinase inhibitors.