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Chemical structure of PPNDS

GC16342

PPNDS

Also known as tetrasodium;3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]-7-nitronaphthalene-1,5-disulfonate

PPNDS is a selective and competitive meprin β inhibitor (IC50: 80 nM, Ki: 8 nM), and also inhibits ADAM10 (IC50: 1·2 μM)

ChemicalCAS1021868-77-8MW694.36FormulaC18H11N4Na4O14PS2
CAS number
1021868-77-8
Molecular weight
694.36
Formula
C18H11N4Na4O14PS2
Solubility
Soluble to 100 mM in Water
InChIKey
XHWIRFKQZFSILU-UHFFFAOYSA-J
Catalogue number
GC16342
Brand
GLPBIO
Computed properties PubChem CID 5311367 · TPSA 324 Ų · H-bond donors 1 · H-bond acceptors 17
TPSA
324 Ų
H-bond donors
1
H-bond acceptors
17
Rotatable bonds
5
Heavy atoms
43

SMILES CC1=C(C(=C(C(=N1)N=NC2=CC3=C(C=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C(=C2)S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 5311367), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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