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Chemical structure of Tubastatin A HCl

GC10322

Tubastatin A HCl

Also known as N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide;hydrochloride

Tubastatin A HCl (Tubastatin A HCl) is a potent and selectiveHDAC6inhibitor withIC50of 15 nM in a cell-free assay, and is selective (1000-fold more) against all other isozymes except HDAC8 (57-fold more)· Tubastatin A HCl also inhibits HDAC10 and metallo-β-lactamase domain-containing protein2 (MBLAC2)

ChemicalCAS1310693-92-5MW371.86FormulaC20H21N3O2·HCl
CAS number
1310693-92-5
Molecular weight
371.86
Formula
C20H21N3O2·HCl
Solubility
≥ 18·6mg/mL in DMSO
InChIKey
LJTSJTWIMOGKRJ-UHFFFAOYSA-N
Catalogue number
GC10322
Brand
GLPBIO
Computed properties PubChem CID 57336514 · TPSA 57.5 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
57.5 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

SMILES CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO.Cl

Computed descriptors from PubChem (CID 57336514), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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