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Chemical structure of Upamostat (WX-671)

GC32882

Upamostat (WX-671)

Also known as ethyl 4-[(2S)-3-[3-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate

Upamostat (WX-671) (WX-671) is a serine protease inhibitor· Upamostat (WX-671) is the orally available prodrug of the WX-UK1, which is a urokinase plasminogen activator (uPA) inhibitor

ChemicalCAS590368-25-5MW629.81FormulaC32H47N5O6S
CAS number
590368-25-5
Molecular weight
629.81
Formula
C32H47N5O6S
Solubility
DMSO ： ≥ 250 mg/mL (396·95 mM)
InChIKey
CYCFEEXTLQGJEL-XEOXDSMQSA-N
Catalogue number
GC32882
Brand
GLPBIO
Computed properties PubChem CID 56843330 · XLogP 5.4 · TPSA 149 Ų · H-bond donors 3
XLogP
5.4
TPSA
149 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
44

SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)/C=N/NO)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C

Computed descriptors from PubChem (CID 56843330), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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