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XPC-6444

CAT: 0013-GTR19204791-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204791-01Size:25 mg
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Description
XPC-6444 is a brain-penetrant, small molecule inhibitor that selectively targets the NaV1.6 sodium channel isoform (IC50 = 41 nM) . It exhibits anticonvulsant properties in preclinical models, making it a valuable research tool for studying epilepsy and related CNS disorders in both in vitro and in vivo settings.
CAS Number
2230144-21-3
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
CN (Cc1cccc (F) c1CNc1cc (F) c (c (F) c1) S (=O) (=O) Nc1cscn1) C (C) (C) C
Molecular Formula
C22H25F3N4O2S2
Molecular Weight
498.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CAS Number2230144-21-3
PubChem CID134585831
IUPAC Name4-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
Molecular FormulaC22H25F3N4O2S2
Molecular Weight498.6
XLogP4.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity722
SMILES
CC(C)(C)N(C)CC1=C(C(=CC=C1)F)CNC2=CC(=C(C(=C2)F)S(=O)(=O)NC3=CSC=N3)F
InChI
InChI=1S/C22H25F3N4O2S2/c1-22(2,3)29(4)11-14-6-5-7-17(23)16(14)10-26-15-8-18(24)21(19(25)9-15)33(30,31)28-20-12-32-13-27-20/h5-9,12-13,26,28H,10-11H2,1-4H3
InChIKey
VOJFVKGTRNXOTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CAS: 2230144-21-3
CID: 134585831
Formula: C22H25F3N4O2S2
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass498.13710289
Monoisotopic Mass498.13710289
Topological Polar Surface Area111 Ų
Heavy Atom Count33
Formal Charge0
Complexity722
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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