Absolute configurations of tubulin inhibitors taltobulin (HTI-286) and HTI-042 characterized by X-ray diffraction analysis and NMR studies.
The stereochemistry of the tubulin inhibitors taltobulin HTI-286 (2) and HTI-042 (3) was determined by utilizing the DPFGSE 1D NOE experiment. Single crystal X-ray diffraction analysis further confirmed the absolute configuration of these two compounds, which carry the (S,S,S)-configuration necessary for biological activity.
Niu
Chuansheng
C
Wyeth Research, Pearl River, NY 10965, USA. niuc@wyeth.com
Ho
Douglas M
DM
Williamson
Robert Thomas
RT
Zask
Arie
A
Ayral-Kaloustian
Semiramis
S
D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D009842:Oligopeptides / Q000737:chemistry* / Q000494:pharmacology; D013237:Stereoisomerism; D013329:Structure-Activity Relationship; D014404:Tubulin / Q000737:chemistry / Q000378:metabolism; D050257:Tubulin Modulators / Q000737:chemistry* / Q000494:pharmacology
C549575:HTI 042; C473896:HTI-286; D009842:Oligopeptides; D014404:Tubulin; D050257:Tubulin Modulators