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Chemical structure of VU 590 dihydrochloride

GC15369

VU 590 dihydrochloride

Also known as 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;dihydrochloride

VU 590 dihydrochloride is a potent and moderately selective ROMK (Kir1·1) inhibitor, with an IC50 of 290 nM

ChemicalCAS313505-85-0MW561.46FormulaC24H32N4O7·2HCl
CAS number
313505-85-0
Molecular weight
561.46
Formula
C24H32N4O7·2HCl
Solubility
＜56·15mg/ml in DMSO
InChIKey
FRYYSUBAHIUBNJ-UHFFFAOYSA-N
Catalogue number
GC15369
Brand
GLPBIO
Computed properties PubChem CID 71433535 · TPSA 126 Ų · H-bond donors 2 · H-bond acceptors 9
TPSA
126 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
37

SMILES C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl

Computed descriptors from PubChem (CID 71433535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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