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VU590 (dihydrochloride)

CAT: 0804-HY-110076Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110076Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VU590 dihydrochloride is a potent and moderately selective ROMK (Kir1.1) inhibitor, with an IC50 of 290 nM. VU590 also inhibits Kir7.1, with an IC50 of 8 μM. VU590 dihydrochloride is not a good probe of ROMK function in the kidney[1][2].
CAS Number
1783987-83-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/vu590-dihydrochloride.html
Solubility
10 mM in DMSO
Smiles
O=[N+](C1=CC=C(CN2CCOCCOCCN(CCOCC2)CC3=CC=C([N+]([O-])=O)C=C3)C=C1)[O-].Cl.Cl
Molecular Formula
C24H34Cl2N4O7
Molecular Weight
561.46
Precautions
H302, H315, H319, H335
References & Citations
[1]Bhave G, et al. Development of a selective small-molecule inhibitor of Kir1.1, the renal outer medullary potassium channel. Mol Pharmacol. 2011 Jan;79 (1) :42-50. |[2]Kharade SV, et al. Pore Polarity and Charge Determine Differential Block of Kir1.1 and Kir7.1 Potassium Channels by Small-Molecule Inhibitor VU590. Mol Pharmacol. 2017 Sep;92 (3) :338-346.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

VU 590 dihydrochloride

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CAS Number1783987-83-6
PubChem CID71433535
IUPAC Name7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;dihydrochloride
Molecular FormulaC24H34Cl2N4O7
Molecular Weight561.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity562
SMILES
C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl
InChI
InChI=1S/C24H32N4O7.2ClH/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32;;/h1-8H,9-20H2;2*1H
InChIKey
FRYYSUBAHIUBNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU 590 dihydrochloride
CAS: 1783987-83-6
CID: 71433535
Formula: C24H34Cl2N4O7
MW: 561.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass560.1804548
Monoisotopic Mass560.1804548
Topological Polar Surface Area126 Ų
Heavy Atom Count37
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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