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XPC-5462

CAT: 0804-HY-157786-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-157786-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XPC-5462 is a NaV1.6 and NaV1.2 inhibitor with the IC50s of 10.9 nM and 10.3 nM, respectively. XPC-5462 suppresses epileptiform activity in an ex vivo brain slice seizure model[1].
CAS Number
2230145-14-7
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/xpc-5462.html
Purity
99.65
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(NC1=CSC=N1)(C2=C(C=C(C=C2F)NCC3=C(C(F)=CC=C3F)CN4CCC4)F)=O
Molecular Formula
C20H18F4N4O2S2
Molecular Weight
486.51
References & Citations
[1]Goodchild SJ, et al. Molecular Pharmacology of Selective NaV1.6 and Dual NaV1.6/NaV1.2 Channel Inhibitors that Suppress Excitatory Neuronal Activity Ex Vivo. ACS Chem Neurosci. 2024 Feb 15.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Nav1.2; Nav1.6

Chemical Information

4-[[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CAS Number2230145-14-7
PubChem CID134585358
IUPAC Name4-[[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
Molecular FormulaC20H18F4N4O2S2
Molecular Weight486.5
XLogP3.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity715
SMILES
C1CN(C1)CC2=C(C=CC(=C2CNC3=CC(=C(C(=C3)F)S(=O)(=O)NC4=CSC=N4)F)F)F
InChI
InChI=1S/C20H18F4N4O2S2/c21-15-2-3-16(22)14(9-28-4-1-5-28)13(15)8-25-12-6-17(23)20(18(24)7-12)32(29,30)27-19-10-31-11-26-19/h2-3,6-7,10-11,25,27H,1,4-5,8-9H2
InChIKey
OTYLSXLIPYTHJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[2-(azetidin-1-ylmethyl)-3,6-difluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CAS: 2230145-14-7
CID: 134585358
Formula: C20H18F4N4O2S2
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass486.08073083
Monoisotopic Mass486.08073083
Topological Polar Surface Area111 Ų
Heavy Atom Count32
Formal Charge0
Complexity715
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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