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Quinalizarin

CAT: 0931-T20791-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20791-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81-61-8
Target
Others, Casein Kinase
Related Pathways
Metabolism, Others, Stem Cells
Bioactivity
Quinalizarin, the most selective CK2 inhibitor, is superior to CX-4945 which is the first-in-class CK2 inhibitor.
Smiles
OC1=C(O)C2=C(C=C1)C(=O)C1=C(O)C=CC(O)=C1C2=O
Molecular Formula
C14H8O6
Molecular Weight
272.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Quinalizarin

Quinalizarin is a tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor.

CAS Number81-61-8
PubChem CID5004
IUPAC Name1,2,5,8-tetrahydroxyanthracene-9,10-dione
Molecular FormulaC14H8O6
Molecular Weight272.21
XLogP2.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity435
SMILES
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
InChI
InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
InChIKey
VBHKTXLEJZIDJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinalizarin
CAS: 81-61-8
CID: 5004
Formula: C14H8O6
MW: 272.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.21
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass272.03208797
Monoisotopic Mass272.03208797
Topological Polar Surface Area115 Ų
Heavy Atom Count20
Formal Charge0
Complexity435
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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CatalogName
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