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865854-05-3

865854-05-3 structural image
Product Name: 4-Benzyl-2-(naphthalen-1-yl)-[1,2,4]thiadiazolidine-3,5-dione
Formula: C19H14N2O2S
Synonyms: 4-Benzyl-2-(naphthalen-1-yl)-[1,2,4]thiadiazolidine-3,5-dione;NP031112;NP-12
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 511.3ºC at 760 mmHg
Melting Point 148-150ºC
Solubility Sparingly soluble
LogP 3.28

COMPUTED DESCRIPTORS

Molecular Weight 334.4 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 334.07759887 g/mol
Monoisotopic Mass 334.07759887 g/mol
Topological Polar Surface Area 65.9 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 492
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tideglusib is a member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. It has a role as an EC 2.7.11.26 (tau-protein kinase) inhibitor, a neuroprotective agent, an anti-inflammatory agent and an apoptosis inducer. It is a member of naphthalenes, a member of benzenes and a thiadiazolidine.