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127-79-7

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Structure-based virtual screening and optimization of modulators targeting Hsp90-Cdc37 interaction
Identification of novel Hsp90 inhibitors to disrupt Hsp90-Cdc37 protein-protein interaction (PPI) could be an alternative strategy to achieve Hsp90 inhibition. In this paper, a series of small molecules targeting Hsp90-Cdc37 complex are addressed and characterized. The molecules' key characters are determined by utilizing a structure-based virtual screening workflow, derivatives synthesis, and biological evaluation. Structural optimization and structure–activity relationship (SAR) analysis were then carried out on the virtual hit of VS-8 with potent activity, which resulted in the discovery of compound 10 as a more potent regulator of Hsp90-Cdc37 interaction with a promising inhibitory effect (IC50?=?27?μM), a moderate binding capacity (KD?=?40?μM) and a preferable antiproliferative activity against several cancer lines including MCF-7, SKBR3 and A549?cell lines (IC50?=?26?μM, 15?μM and 38?μM respectively). All the data suggest that compound 10 exhibits moderate inhibitory effect on Hsp90-Cdc37 and could be regard as a first evidence of a non-natural compound targeting Hsp90-Cdc37 PPI.
Wang, Lei,Li, Li,Zhou, Zi-Han,Jiang, Zheng-Yu,You, Qi-Dong,Xu, Xiao-Li
p. 63 - 73
(2017/05/10)

Process for formulating a synthetic drug for use in animal feed, and resulting formulation
A method of formulating a synthetic drug for use in animal feed, for the purpose of reducing carry-over of the synthetic drug to subsequent lots of animal feed in the feed mill.
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(2008/06/13)

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Chemical Properties

Appearance/Colour :White Solid
Melting Point: 234-238 °C
Boiling Point: 519.1 °C at 760 mmHg
Flash Point:267.8 °C
Density: 1.439 g/cm³
Solubility:DMSO (Slightly), Methanol (Slightly)
Storage Temp.:0-6°C
Vapor Pressure: 7.03E-11mmHg at 25°C
Refractive Index: 1.66
PKA: pKa 2.29(H2O t = 24.0 I = 0.5 (NaCl)) (Uncertain)
Merck: 14,8913
BRN: 249133
PSA: 106.35000
LogP: 2.90300

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