Tubacin (tubulin acetylation inducer)

Description: Tubacin (known also as tubulin acetylation inducer) is a specific HDAC6 (histone deacetylase 6) inhibitor with potential anticancer activity. It inhibits HDAC6 with IC50 of 4 nM in a cell-free assay, and exhibits ca.350-fold higher selectivity for HDAC6 over HDAC1.

References: J Am Chem Soc. 2010 Aug 11; 132(31):10842-6; Proc Natl Acad Sci U S A. 2003 Apr 15; 100(8):4389-94; Protein Cell. 2011 Feb; 2(2):150-60.

Tubacin; tubulin acetylation inducer.

Chemical Name: N1-(4-((2R, 4R, 6S)-4-(((4, 5-diphenyloxazol-2-yl)thio)methyl)-6-(4-(hydroxymethyl)phenyl)-1, 3-dioxan-2-yl)phenyl)-N8-hydroxyoctanediamide

InChi Key: BHUZLJOUHMBZQY-YXQOSMAKSA-N

InChi Code: InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8, 11-14, 17-24, 34-35, 40, 45, 48H, 1-2, 9-10, 15-16, 25-27H2, (H, 42, 46)(H, 44, 47)/t34-, 35+, 40+/m1/s1

SMILES Code: O=C(NC1=CC=C([CH]2O[CH](C3=CC=C(CO)C=C3)C[CH](CSC4=NC(C5=CC=CC=C5)=C(C6=CC=CC=C6)O4)O2)C=C1)CCCCCCC(NO)=O