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Nav1.8-IN-8

CAT: 0804-HY-160589Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160589Size:1 Each
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Description
Nav1.8-IN-8 (Compound A11) is a Nav1.8 channel inhibitor. Nav1.8-IN-8 may prevent associated diseases mediated by sodium ion channels (NaV) [1].
CAS Number
2626945-23-9
UNSPSC
12352005
Target
Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nav1-8-in-8.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(Cl)=C(C=C1OC2=CC=C(C=C2)OC(F)(F)F)Cl)NC3=CC=C[N+]([O-])=C3
Molecular Formula
C19H11Cl2F3N2O4
Molecular Weight
459.20
References & Citations
[1]Qiong Zhang, et al. Pyridine nitroxide compound and preparation method and application thereof. CN112479996A. 2021-03-12.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Nav1.8-IN-8
CAS Number2626945-23-9
PubChem CID167320453
IUPAC Name4,5-dichloro-N-(1-oxidopyridin-1-ium-3-yl)-2-[4-(trifluoromethoxy)phenoxy]benzamide
Molecular FormulaC19H11Cl2F3N2O4
Molecular Weight459.2
XLogP4.7
Topological Polar Surface Area73
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity578
SMILES
C1=CC(=C[N+](=C1)[O-])NC(=O)C2=CC(=C(C=C2OC3=CC=C(C=C3)OC(F)(F)F)Cl)Cl
InChI
InChI=1S/C19H11Cl2F3N2O4/c20-15-8-14(18(27)25-11-2-1-7-26(28)10-11)17(9-16(15)21)29-12-3-5-13(6-4-12)30-19(22,23)24/h1-10H,(H,25,27)
InChIKey
NSDKFULWFDJLQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nav1.8-IN-8
CAS: 2626945-23-9
CID: 167320453
Formula: C19H11Cl2F3N2O4
MW: 459.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.2
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass458.0047967
Monoisotopic Mass458.0047967
Topological Polar Surface Area73 Ų
Heavy Atom Count30
Formal Charge0
Complexity578
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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