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Chemical structure of UK-371804 HCl

GC26017

UK-371804 HCl

Also known as 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoic acid;hydrochloride

UK-371804 is a potent and selective urokinase-type plasmogen activator (uPA) inhibitor with excellent enzyme potency (Ki=10 nM) and selectivity profile (4000-fold versus tPA and 2700-fold versus plasmin)

ChemicalCAS256476-36-5MW422.29FormulaC14H16ClN5O4S·HCl
CAS number
256476-36-5
Molecular weight
422.29
Formula
C14H16ClN5O4S·HCl
Solubility
DMSO: 42 mg/mL (99·46 mM);Water: Insoluble;Ethanol: Insoluble
InChIKey
IUBFETAFRGVODB-UHFFFAOYSA-N
Catalogue number
GC26017
Brand
GLPBIO
Computed properties PubChem CID 16657953 · TPSA 169 Ų · H-bond donors 5 · H-bond acceptors 7
TPSA
169 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

SMILES CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl.Cl

Computed descriptors from PubChem (CID 16657953), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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