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Chemical structure of Tubacin

GC16386

Tubacin

Also known as N-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide

Tubacin (tubulin acetylation inducer) is a small molecule that selectively inhibits histone deacetylase 6 (HDAC6) and induces acetylation of α-tubulin with IC50 of 0·004μM

ChemicalCAS537049-40-4MW721.86FormulaC41H43N3O7S
CAS number
537049-40-4
Molecular weight
721.86
Formula
C41H43N3O7S
Solubility
≥ 7·19mg/mL in DMSO
InChIKey
BHUZLJOUHMBZQY-YXQOSMAKSA-N
Catalogue number
GC16386
Brand
GLPBIO
Computed properties PubChem CID 6675804 · XLogP 6.3 · TPSA 168 Ų · H-bond donors 4
XLogP
6.3
TPSA
168 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
52

SMILES C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6

Computed descriptors from PubChem (CID 6675804), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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