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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
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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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Alternative Products

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286678-01PCI-24781
FP26773-01PCI 24781
MBS577522PCI-24781 (Abexinostat)
C07507-01Abexinostat (PCI-24781)

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