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HUP1-IN-1 potassium

CAT: 0013-GTR19232619-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232619-01Size:10 mg
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Description
HUP1-IN-1 (compound 6a) is a potent hUP1 inhibitor with Ki and Kis values of 375 nM and 635 nM, achieving 70% inhibition at 1 μM. This small molecule is a valuable research tool for investigating hUP1's role in cancer biology through in vitro enzymatic and cellular assays.
CAS Number
118803-30-8
Field of Research
Metabolism Research, Stem Cell & Developmental Biology
Smiles
N#CC1=C (C=C (NC1=O) [O-]) C.[K+]
Molecular Formula
C7H5KN2O2
Molecular Weight
188.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

hUP1-IN-1 (potassium)
CAS Number118803-30-8
PubChem CID146026988
IUPAC Namepotassium 5-cyano-4-methyl-6-oxo-1H-pyridin-2-olate
Molecular FormulaC7H5KN2O2
Molecular Weight188.22
Topological Polar Surface Area76
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity322
SMILES
CC1=C(C(=O)NC(=C1)[O-])C#N.[K+]
InChI
InChI=1S/C7H6N2O2.K/c1-4-2-6(10)9-7(11)5(4)3-8;/h2H,1H3,(H2,9,10,11);/q;+1/p-1
InChIKey
PLXIXNNSODABNT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of hUP1-IN-1 (potassium)
CAS: 118803-30-8
CID: 146026988
Formula: C7H5KN2O2
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass187.99880889
Monoisotopic Mass187.99880889
Topological Polar Surface Area76 Ų
Heavy Atom Count12
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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