Tubastatin A

CAT: 1568-C13155-200mgSize: 200 mgDry Ice: YesHazardous: No

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CAT#:1568-C13155-200mgSize:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1252003-15-8

Target

HDAC

Applications

DNA Damage/DNA Repair

Smiles

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

Molecular Formula

C20H21N3O2

Additionnal Information

Tubastatin A is a potent and selective HDAC6 inhibitor with IC50 of 15 nM in a cell-free assay. It is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold) . Tubastatin A promotes autophagy and increases apoptosis.

Storage Conditions

2 years -80 in solvent

Chemical Information

Tubastatin A

Tubastatin A is a pyridoindole that is 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole which is substituted on the tetrahydropyridine nitrogen by a methyl group and on the indole nitrogen by a p-[N-(hydroxy)aminocarbonyl]benzyl group. It is a histone deacetylase 6 (HDAC6) inhibitor that is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold). It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a hydroxamic acid, a pyridoindole and a tertiary amino compound.

CAS Number	1252003-15-8
PubChem CID	49850262
IUPAC Name	N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
Molecular Formula	C20H21N3O2
Molecular Weight	335.4
XLogP	2.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	478

SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)

InChIKey

GOVYBPLHWIEHEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1252003-15-8

CID: 49850262

Formula: C20H21N3O2

MW: 335.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	335.4
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	335.16337692
Monoisotopic Mass	335.16337692
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	478
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T29023-01	Tubastatin
T1966-01	Tubastatin A

Tubastatin A

Chemical Information

Alternative Products

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