Crystal structure of 5-{4'-[(2-{2-[2-(2-ammonio-eth-oxy)eth-oxy]eth-oxy}eth-yl)carbamo-yl]-4-meth-oxy-[1,1'-biphen-yl]-3-yl}-3-oxo-1,2,5-thia-diazo-lidin-2-ide 1,1-dioxide: a potential inhibitor of the enzyme protein tyrosine phosphatase 1B (PTP1B).
Acta Crystallogr E Crystallogr Commun
; 71(Pt 4): 336-8, 2015 Apr 01.
Article
em En
| MEDLINE
| ID: mdl-26029383
The title compound, C24H32N4O8S, (I), crystallizes as a zwitterion. The terminal amine N atom of the [(2-{2-[2-(2-ammonio-eth-oxy)eth-oxy]eth-oxy}eth-yl)carbamo-yl] side chain is protonated, while the 1,2,5-thia-diazo-lidin-3-one 1,1-dioxide N atom is deprotonated. The side chain is turned over on itself with an intra-molecular N-Hâ¯O hydrogen bond. The 1,2,5-thia-diazo-lidin-3-one 1,1-dioxide ring has an envelope conformation with the aryl-substituted N atom as the flap. Its mean plane is inclined by 62.87â
(8)° to the aryl ring to which it is attached, while the aryl rings of the biphenyl unit are inclined to one another by 20.81â
(8)°. In the crystal, mol-ecules are linked by N-Hâ¯O and N-Hâ¯N hydrogen bonds, forming slabs lying parallel to (010). Within the slabs there are C-Hâ¯O and C-Hâ¯N hydrogen bonds and C-Hâ¯π inter-actions present.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Ano de publicação:
2015
Tipo de documento:
Article
País de afiliação:
Estados Unidos