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PCI-24781 5mg

CAT: 0628-A10700-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A10700-5Size:5 mg
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CAS Number
783355-60-2

Chemical Information

Abexinostat

Abexinostat is a 1-benzofuran substituted by {2-[4-(hydroxycarbamoyl)phenoxy]ethyl}aminocarbonyl and (dimethylamino)methyl groups at positions 2 and 3, respectively. It is a potent pan-HDAC inhibitor whose major target is HDAC1 (Ki = 7 nM). It has a role as a radiosensitizing agent, an autophagy inducer, an antineoplastic agent, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a hydroxamic acid, an aromatic ether, a member of 1-benzofurans and a tertiary amino compound.

CAS Number783355-60-2
PubChem CID11749858
IUPAC Name3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
Molecular FormulaC21H23N3O5
Molecular Weight397.4
XLogP2.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity550
SMILES
CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO
InChI
InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKey
MAUCONCHVWBMHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Abexinostat
CAS: 783355-60-2
CID: 11749858
Formula: C21H23N3O5
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass397.16377084
Monoisotopic Mass397.16377084
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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286678-01PCI-24781
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MBS577522PCI-24781 (Abexinostat)
C07507-01Abexinostat (PCI-24781)

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