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MPT0E028

CAT: 1410-M11358-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M11358-04Size:50 mg
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Description
MPT0E028 (MPT 0E028) is a potent HDAC inhibitor that inhibits nuclear HDAC activity with IC50 of 11.1 nM in HeLa cells.
CAS Number
1338320-94-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
344.385
Molecular Formula
C17H16N2O4S
Notes
Research use only, not for human use.
Receptor
HDAC

Chemical Information

3-(1-(Benzenesulfonyl)-2,3-dihydro-1H-indol-5-yl)-N-hydroxyacrylamide

Imofinostat is an orally bioavailable N-hydroxyacrylamide-derived inhibitor of both human pan-histone deacetylase (HDAC) enzymes and the serine/threonine protein kinase Akt (protein kinase B), with potential antineoplastic activity. Upon administration, imofinostat selectively binds to and inhibits HDACs, which inhibits deacetylation of histone proteins and leads to the accumulation of highly acetylated histones. This may result in both an induction of chromatin remodeling, and the selective transcription of tumor suppressor genes. This prevents cell division and induces both cell cycle arrest and apoptosis, which may inhibit the proliferation of susceptible tumor cells. In addition, imofinostat inhibits the phosphorylation and activation of Akt, which prevents the activation of downstream signaling pathways, independent of its HDAC inhibitory activity. HDACs, upregulated in many tumor cell types, are a family of enzymes that deacetylate histone proteins. Akt, overexpressed in many tumor cell types, plays a key role in tumor cell proliferation and survival.

CAS Number1338320-94-7
PubChem CID53464642
IUPAC Name(E)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
Molecular FormulaC17H16N2O4S
Molecular Weight344.4
XLogP1.9
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity578
SMILES
C1CN(C2=C1C=C(C=C2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-9,12,21H,10-11H2,(H,18,20)/b9-7+
InChIKey
MGTIFSBCGGAZDB-VQHVLOKHSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-(Benzenesulfonyl)-2,3-dihydro-1H-indol-5-yl)-N-hydroxyacrylamide
CAS: 1338320-94-7
CID: 53464642
Formula: C17H16N2O4S
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass344.08307817
Monoisotopic Mass344.08307817
Topological Polar Surface Area95.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity578
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

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CatalogName
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A18982-100Imofinostat (MPT0E028) 100mg
A18982-25Imofinostat (MPT0E028) 25mg
A18982-5Imofinostat (MPT0E028) 5mg

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