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PT 3

CAT: 0957-E5952-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E5952-01Size:5 mg
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Description
PT 3 is a benzamide-class, potent, and selective inhibitor of Histone Deacetylase 3 (HDAC3) with an IC50 of 245 nM. It crosses the blood-brain barrier and enhances learning and memory in novel object recognition models in mice.
CAS Number
2710273-81-5
Target
HDAC
Activity
DNA Damage/DNA Repair
Molecular Formula
C18H17N5O

Chemical Information

CID 155568230
CAS Number2710273-81-5
PubChem CID155568230
IUPAC NameN-(2-aminophenyl)-5-(benzylamino)pyrazine-2-carboxamide
Molecular FormulaC18H17N5O
Molecular Weight319.4
XLogP2.1
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity399
SMILES
C1=CC=C(C=C1)CNC2=NC=C(N=C2)C(=O)NC3=CC=CC=C3N
InChI
InChI=1S/C18H17N5O/c19-14-8-4-5-9-15(14)23-18(24)16-11-22-17(12-20-16)21-10-13-6-2-1-3-7-13/h1-9,11-12H,10,19H2,(H,21,22)(H,23,24)
InChIKey
VNDKSSOLKIUTSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 155568230
CAS: 2710273-81-5
CID: 155568230
Formula: C18H17N5O
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass319.14331018
Monoisotopic Mass319.14331018
Topological Polar Surface Area92.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity399
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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