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HPB

CAT: 0804-HY-130493-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130493-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HPB (HDAC6 inhibitor HPB) is a selective HDAC6 inhibitor with an IC50 of 31 nM. HPB exhibits >30-flod selectivity for HDAC6 over HDAC1[1].
CAS Number
1800066-24-3
Product Name Alternative
HDAC6 inhibitor HPB
UNSPSC
12352005
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hpb.html
Purity
99.11
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N(CC1=CC=C(C(NO)=O)C=C1)CCO)CC2=CC=CC=C2
Molecular Formula
C18H20N2O4
Molecular Weight
328.36
References & Citations
[1]Nicholas J Porter, et al. Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors. Proc Natl Acad Sci U S A. 2017 Dec 19;114 (51) :13459-13464.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC1; HDAC6

Chemical Information

N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
CAS Number1800066-24-3
PubChem CID91810840
IUPAC NameN-hydroxy-4-[[2-hydroxyethyl-(2-phenylacetyl)amino]methyl]benzamide
Molecular FormulaC18H20N2O4
Molecular Weight328.4
XLogP0.9
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity402
SMILES
C1=CC=C(C=C1)CC(=O)N(CCO)CC2=CC=C(C=C2)C(=O)NO
InChI
InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
InChIKey
GTFAUKGKYICUDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
CAS: 1800066-24-3
CID: 91810840
Formula: C18H20N2O4
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass328.14230712
Monoisotopic Mass328.14230712
Topological Polar Surface Area89.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity402
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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