XPC-6444

CAT: 0931-T13359-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T13359-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2230144-21-3

Target

Others, Sodium Channel

Related Pathways

Membrane transporter/Ion channel, Others

Bioactivity

XPC-6444 is a isoform-selective, and CNS-penetrant inhibitor of NaV1.6 with IC50 of41 nM for hNaV1.6, with anticonvulsant activity.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

CAS Number	2230144-21-3
PubChem CID	134585831
IUPAC Name	4-[[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
Molecular Formula	C22H25F3N4O2S2
Molecular Weight	498.6
XLogP	4.4
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	722

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

CAS: 2230144-21-3

CID: 134585831

Formula: C22H25F3N4O2S2

MW: 498.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.6
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	498.13710289
Monoisotopic Mass	498.13710289
Topological Polar Surface Area	111 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	722
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
BA6968-5.1	XPC-6444
GTR18155689	XPC Antibody
GTR19234635-01	XPC-5462
GTR19261590-01	XPC-7724
sc-74411	XPC (A-5)

XPC-6444

Chemical Information

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