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AES-350

CAT: 0931-T9041-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9041-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
847249-57-4
Target
Apoptosis, HDAC
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair, Apoptosis
Purity
0.992
Bioactivity
AES-350 is a potent and orally active HDAC6 inhibitor (IC50 and Ki of 0.0244 μM and 0.035 μM, respectively), also exhibiting activity against HDAC-3, -8, and -11 in an enzymatic assay with IC50 values of 0.187 μM, 0.245 μM, and >1 μM, respectively. AES-350 triggers apoptosis in AML cells through HDAC inhibition and can be used for acute myeloid leukemia (AML) research.
Smiles
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NO
Molecular Formula
C18H20N2O3
Molecular Weight
312.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tert-butylbenzamido hydroxylbenzamide
CAS Number847249-57-4
PubChem CID11688197
IUPAC Name4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
Molecular FormulaC18H20N2O3
Molecular Weight312.4
XLogP3.2
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity414
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
InChI
InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKey
FMOQHLZNJFXULZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butylbenzamido hydroxylbenzamide
CAS: 847249-57-4
CID: 11688197
Formula: C18H20N2O3
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass312.14739250
Monoisotopic Mass312.14739250
Topological Polar Surface Area78.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity414
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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