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2-HBA

CAT: 0804-HY-103667-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-103667-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-HBA is a potent inducer of NAD (P) H:quinone acceptor oxidoreductase 1 (NQO1) which can also activate caspase-3 and caspase-10.
CAS Number
131359-24-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Caspase; Quinone Reductase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/2-HBA.html
Purity
99.46
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(/C=C/C1=CC=CC=C1O)/C=C/C2=CC=CC=C2O
Molecular Formula
C17H14O3
Molecular Weight
266.29
Precautions
H302, H315, H319, H335
References & Citations
[1]Dinkova-Kostova AT, et al. Bis (2-hydroxybenzylidene) acetone, a potent inducer of the phase 2 response, causes apoptosis in mouse leukemia cells through a p53-independent, caspase-mediated pathway. Cancer Lett. 2007 Jan 8;245 (1-2) :341-9.
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
Caspase 10; Caspase 3

Chemical Information

(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CAS Number131359-24-5
PubChem CID5472867
IUPAC Name(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
Molecular FormulaC17H14O3
Molecular Weight266.29
XLogP3.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity338
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+
InChIKey
YNVAHBUBGBLIEY-WGDLNXRISA-N
Chemical Structure
2D Structure
2D structure of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CAS: 131359-24-5
CID: 5472867
Formula: C17H14O3
MW: 266.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.29
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass266.094294304
Monoisotopic Mass266.094294304
Topological Polar Surface Area57.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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