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Chemical structure of hUP1-IN-1 potassium

GC74646

hUP1-IN-1 potassium

Also known as potassium 5-cyano-4-methyl-6-oxo-1H-pyridin-2-olate

hUP1-IN-1 potassium (compound 6a) is a hUP1 inhibitor with Kii and Kis Urd of 375 and 635 nM

ChemicalCAS118803-30-8MW188.23FormulaC7H5KN2O2
CAS number
118803-30-8
Molecular weight
188.23
Formula
C7H5KN2O2
Solubility
DMSO : 100 mg/mL (531·26 mM; ultrasonic and warming and heat to 80°C)
InChIKey
PLXIXNNSODABNT-UHFFFAOYSA-M
Catalogue number
GC74646
Brand
GLPBIO
Computed properties PubChem CID 146026988 · TPSA 76 Ų · H-bond donors 1 · H-bond acceptors 3
TPSA
76 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

SMILES CC1=C(C(=O)NC(=C1)[O-])C#N.[K+]

Computed descriptors from PubChem (CID 146026988), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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