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Piperlongumine

CAT: 0013-GTR19162867-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162867-02Size:500 mg
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Description
A naturally occurring small molecule recently identified to be toxic selectively to cancer cells in vitro and in vivo; elevates cellular levels of reactive oxygen species (ROS) selectively in cancer cell lines, potently inhibits the growth of spontaneously formed malignant breast tumours and their associated metastases in mice; inhibits the STAT3 signal pathway in MM cells by binding directly to the STAT3 Cys712 residue.
CAS Number
20069-09-4
Product Name Alternative
Piplartine
Purity
>98% (HPLC)
Solubility
DMSO: 31.7 mg/mL (100 mM) (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C1C=CCCN1C (/C=C/C2=CC (OC) =C (OC) C (OC) =C2) =O
Molecular Formula
C17H19NO5
Molecular Weight
317.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5,6-dihydro-1-[ (2E) -1-oxo-3- (3,4,5-trimethoxyphenyl) -2-propen-1-yl]-2 (1H) -pyridinone

Chemical Information

Piperlongumine

Piplartine is a member of cinnamamides and a dicarboximide.

CAS Number20069-09-4
PubChem CID637858
IUPAC Name1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Molecular FormulaC17H19NO5
Molecular Weight317.34
XLogP2.1
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity473
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O
InChI
InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
InChIKey
VABYUUZNAVQNPG-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Piperlongumine
CAS: 20069-09-4
CID: 637858
Formula: C17H19NO5
MW: 317.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.34
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass317.12632271
Monoisotopic Mass317.12632271
Topological Polar Surface Area65.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity473
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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