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Kv3 modulator 1

CAT: 0804-HY-111996-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111996-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kv3 modulator 1 is a Kv3 voltage-gated potassium channel modulator extracted from patent WO2018020263A1, Compound X. Kv3 modulator 1 has the potential for inflammatory pain treatment[1].
CAS Number
1380696-64-9
UNSPSC
12352005
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/kv3-modulator-1.html
Solubility
10 mM in DMSO
Smiles
O=C1N(C2=CN=C(OC3=C4C5(CC5)COC4=C(C)C=C3)N=C2)C(C(C)(C)N1)=O
Molecular Formula
C20H20N4O4
Molecular Weight
380.40
References & Citations
[1]Giuseppe Alvaro, et al. Cyclobutane derivatives as modulators of voltage-gated potassium channels. WO2018020263A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Kv3 modulator 1
CAS Number1380696-64-9
PubChem CID57411069
IUPAC Name5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
Molecular FormulaC20H20N4O4
Molecular Weight380.4
XLogP2.1
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity671
SMILES
CC1=C2C(=C(C=C1)OC3=NC=C(C=N3)N4C(=O)C(NC4=O)(C)C)C5(CC5)CO2
InChI
InChI=1S/C20H20N4O4/c1-11-4-5-13(14-15(11)27-10-20(14)6-7-20)28-17-21-8-12(9-22-17)24-16(25)19(2,3)23-18(24)26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,26)
InChIKey
JYHHQTRVJFMEGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kv3 modulator 1
CAS: 1380696-64-9
CID: 57411069
Formula: C20H20N4O4
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass380.14845513
Monoisotopic Mass380.14845513
Topological Polar Surface Area93.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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