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Quinazolin-4-piperidin-4-methyl sulfamide PC-1 inhibitors: alleviating hERG interactions through structure based design.

Abstract：

:PC-1 (NPP-1) inhibitors may be useful as therapeutics for the treatment of CDDP (calcium pyrophosphate dehydrate) deposition disease and osteoarthritis. We have identified a series of potent quinazolin-4-piperidin-4-ethyl sulfamide PC-1 inhibitors. The series, however, suffers from high affinity binding to hERG potassium channels, which can cause drug-induced QT prolongation. We used a hERG homology model to identify potential key interactions between our compounds and hERG, and the information gained was used to design and prepare a series of quinazolin-4-piperidin-4-methyl sulfamides that retain PC-1 activity but lack binding affinity for hERG.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Patel SD,Habeski WM,Cheng AC,de la Cruz E,Loh C,Kablaoui NM

doi

10.1016/j.bmcl.2009.04.006

subject

Has Abstract

pub_date

2009-06-15 00:00:00

pages

3339-43

issue

12

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(09)00497-1

journal_volume

19

pub_type

杂志文章

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