Crystal structure of 5-{4′-[(2-{2-[2-(2-ammonioethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-4-methoxy-[1,1′-biphenyl]-3-yl}-3-oxo-1,2,5-thiadiazolidin-2-ide 1,1-dioxide: a potential inhibitor of the enzyme protein tyrosine phosphatase 1B (PTP1B)

Crystal structure of 5-{4′-[(2-{2-[2-(2-ammonioethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-4-methoxy-[1,1′-biphenyl]-3-yl}-3-oxo-1,2,5-thiadiazolidin-2-ide 1,1-dioxide: a potential inhibitor of the enzyme protein tyrosine phosphatase 1B (PTP1B)

The title compound, C24H32N4O8S, (I), crystallizes as a zwitterion. The terminal amine N atom of the [(2-{2-[2-(2-ammonioethoxy)ethoxy]ethoxy}ethyl)carbamoyl] side chain is protonated, while the 1,2,5-thiadiazolidin-3-one 1,1-dioxide N atom is deprotonated. The side chain is turned over on itself wi...

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Bibliographic Details
Main Authors: Kasi Viswanatharaju Ruddraraju, Roman Hillebrand, Charles L. Barnes, Kent S. Gates
Format: Article
Language:English
Published: International Union of Crystallography 2015-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
PTP1B
inhibitor
1,2,5-thiadiazolidin-3-one 1,1-dioxide
hydrogen bonding
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015003850

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http://scripts.iucr.org/cgi-bin/paper?S2056989015003850

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