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YZ9

CAT: 0931-T23552-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23552-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6093-71-6
Target
Others, Glucokinase, Phosphatase
Related Pathways
Metabolism, Others
Purity
0.9959
Bioactivity
Y29 is a potent PFKFB3 inhibitor with an IC50 of 0.183 μM, acting as a competitive inhibitor against Fru-6-P with a Ki of 0.094 μM[1].
Smiles
CCOC(=O)c1cc2ccc(O)cc2oc1=O
Molecular Formula
C12H10O5
Molecular Weight
234.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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