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Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.

Abstract：

:A co-crystal structure of amide-containing compound (4) in complex with the nicotinamide phosphoribosyltransferase (Nampt) protein and molecular modeling were utilized to design and discover a potent novel cyanoguanidine-containing inhibitor bearing a sulfone moiety (5, Nampt Biochemical IC50=2.5nM, A2780 cell proliferation IC50=9.7nM). Further SAR exploration identified several additional cyanoguanidine-containing compounds with high potency and good microsomal stability. Among these, compound 15 was selected for in vivo profiling and demonstrated good oral exposure in mice. It also exhibited excellent in vivo antitumor efficacy when dosed orally in an A2780 ovarian tumor xenograft model. The co-crystal structure of this compound in complex with the NAMPT protein was also determined.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Zheng X,Baumeister T,Buckmelter AJ,Caligiuri M,Clodfelter KH,Han B,Ho YC,Kley N,Lin J,Reynolds DJ,Sharma G,Smith CC,Wang Z,Dragovich PS,Oh A,Wang W,Zak M,Wang Y,Yuen PW,Bair KW

doi

10.1016/j.bmcl.2013.11.006

subject

Has Abstract

pub_date

2014-01-01 00:00:00

pages

337-43

issue

1

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(13)01285-7

journal_volume

24

pub_type

杂志文章

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