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Ivaltinostat

CAT: 0931-T14936-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14936-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936221-33-9
Target
MDM-2/p53, Apoptosis, HDAC
Related Pathways
DNA Damage/DNA Repair, Apoptosis, Chromatin/Epigenetic
Bioactivity
CG-200745 is a potent inhibitor of HDAC. CG200745 induces apoptosis and also inhibits the deacetylation of histone H3 and tubulin.
Smiles
O(C/C(/C(NCCCN(C)C)=O)=C\CCCCC(NO)=O)C=1C2=C(C=CC1)C=CC=C2
Molecular Formula
C24H33N3O4
Molecular Weight
427.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ivaltinostat

Ivaltinostat is a histone deacetylase (HDAC) inhibitor with potential antineoplastic activity. Ivaltinosta tinhibits the catalytic activity of HDAC, resulting in an accumulation of highly acetylated chromatin histones, followed by the induction of chromatin remodeling and an altered pattern of gene expression. In particular, this agent enhances the histone acetylation of the tumor suppressor gene p53. This results in an accumulation of p53, p53-dependent transactivation and apoptosis in tumor cells. HDAC, an enzyme upregulated in many tumor types, deacetylates chromatin histone proteins.

CAS Number936221-33-9
PubChem CID16117309
IUPAC Name(E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
Molecular FormulaC24H33N3O4
Molecular Weight427.5
XLogP3
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count31
Formal Charge0
Complexity579
SMILES
CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)/COC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+
InChIKey
AUGCSOFQTDKPSO-RGVLZGJSSA-N
Chemical Structure
2D Structure
2D structure of Ivaltinostat
CAS: 936221-33-9
CID: 16117309
Formula: C24H33N3O4
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass427.24710654
Monoisotopic Mass427.24710654
Topological Polar Surface Area90.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity579
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

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MBS5768888Ivaltinostat
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GTR19185935-01Ivaltinostat formic
AR-I04282-01Ivaltinostat-d7
A20939-5Ivaltinostat (CG-200745) 5mg
A20939-50Ivaltinostat (CG-200745) 50mg
A20939-25Ivaltinostat (CG-200745) 25mg
A20939-10Ivaltinostat (CG-200745) 10mg
A20939-1Ivaltinostat (CG-200745) 1mg
A20939-100Ivaltinostat (CG-200745) 100mg

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