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PF-05661014

CAT: 0804-HY-123833Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-123833Size:1 Each
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Description
PF-05661014, a desmethyl analogue of PF-06526290, selectively inhibits Nav1.3 and Nav1.7 currents by stabilizing inactivated channels via interaction with D4 VSD. PF-05661014 can be used for research of sodium channel modulation[1].
CAS Number
2153474-85-0
UNSPSC
12352005
Target
Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pf-05661014.html
Smiles
O=S(C1=CC=C(NC(NCC2=CC=CC=C2)=O)C=C1)(NC3=NC=CS3)=O
Molecular Formula
C17H16N4O3S2
Molecular Weight
388.46
References & Citations
[1]Wang L, et al. Retracted: Addition of a single methyl group to a small molecule sodium channel inhibitor introduces a new mode of gating modulation. British Journal of Pharmacology, volume 172 (20) : 4905-4918, published in October 2015; DOI 10.1111/bph.13259. Br J Pharmacol. 2018 Jul;175 (13) :2712.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(3-benzylureido)-N-(thiazol-2-yl)benzenesulfonamide
CAS Number2153474-85-0
PubChem CID164889456
IUPAC Name1-benzyl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
Molecular FormulaC17H16N4O3S2
Molecular Weight388.5
XLogP1.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity553
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C17H16N4O3S2/c22-16(19-12-13-4-2-1-3-5-13)20-14-6-8-15(9-7-14)26(23,24)21-17-18-10-11-25-17/h1-11H,12H2,(H,18,21)(H2,19,20,22)
InChIKey
BMCSKUJQKUYLNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-benzylureido)-N-(thiazol-2-yl)benzenesulfonamide
CAS: 2153474-85-0
CID: 164889456
Formula: C17H16N4O3S2
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass388.06638273
Monoisotopic Mass388.06638273
Topological Polar Surface Area137 Ų
Heavy Atom Count26
Formal Charge0
Complexity553
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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