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Pracinostat

CAT: 1299-RM-P450001-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P450001-02Size:25 mg
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CAS Number
929016-96-6
Synonyms
(E) -3- (2-butyl-1- (2- (diethylamino) ethyl) -1H-benzo[d]imidazol-5-yl) -N-hydroxyacrylamide
Molecular Formula
C20H30N4O2
Molecular Weight
358.49
Target Alternative Name
Pracinostat
Product Name Synonym
(E) -3- (2-butyl-1- (2- (diethylamino) ethyl) -1H-benzo[d]imidazol-5-yl) -N-hydroxyacrylamide

Chemical Information

Pracinostat

Pracinostat is a hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours. It has a role as an antineoplastic agent, an antimalarial, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a hydroxamic acid, a benzimidazole, a tertiary amino compound and an olefinic compound.

CAS Number929016-96-6
PubChem CID49855250
IUPAC Name(E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
Molecular FormulaC20H30N4O2
Molecular Weight358.5
XLogP3.1
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)/C=C/C(=O)NO
InChI
InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
InChIKey
JHDKZFFAIZKUCU-ZRDIBKRKSA-N
Chemical Structure
2D Structure
2D structure of Pracinostat
CAS: 929016-96-6
CID: 49855250
Formula: C20H30N4O2
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass358.23687621
Monoisotopic Mass358.23687621
Topological Polar Surface Area70.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M16653-01Pracinostat
A4095-10Pracinostat (SB939)
T88235-01Pracinostat dihydrochloride
TRC-P699102-25MGPracinostat-d7
MBS385983-01SB939 (Pracinostat )
HY-13322R-01Pracinostat (Standard)
HY-105246Pracinostat (dihydrochloride)

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