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YZ9

CAT: 0804-HY-110156-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110156-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Y29 is a potent PFKFB3 inhibitor with an IC50 of 0.183 µM, and acts as a competitive inhibitor against Fru-6-P with a Ki value of 0.094 µM. Y29 exhibits antitumor effects against cervical cancer[1].
CAS Number
6093-71-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/yz9.html
Concentration
10mM
Purity
99.20
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C1OC2=CC(O)=CC=C2C=C1C(OCC)=O
Molecular Formula
C12H10O5
Molecular Weight
234.21
Precautions
H302, H315, H319, H335
References & Citations
[1]Minsuh Seo, et al. Structure-based development of small molecule PFKFB3 inhibitors: a framework for potential cancer therapeutic agents targeting the Warburg effect. PLoS One. 2011;6 (9) :e24179.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Carbethoxyumbeliferone
CAS Number6093-71-6
PubChem CID5289613
IUPAC Nameethyl 7-hydroxy-2-oxochromene-3-carboxylate
Molecular FormulaC12H10O5
Molecular Weight234.20
XLogP2
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity360
SMILES
CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
InChI
InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
InChIKey
IETDBZQIWIJQJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Carbethoxyumbeliferone
CAS: 6093-71-6
CID: 5289613
Formula: C12H10O5
MW: 234.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.20
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass234.05282342
Monoisotopic Mass234.05282342
Topological Polar Surface Area72.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity360
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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