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A-967079

CAT: 1568-C01932-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01932-01Size:5 mg
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CAS Number
1170613-55-4
SKU
C01932-5mg
Target
TRP Channel
Applications
Neuronal Signaling
Additionnal Information
A-967079 is a selective antagonist of TRPA1 receptor with IC50 values of 67 nM and 289 nM at human and rat TRPA1 receptors, respectively. A-967079 decreases the responses of wide dynamic range (WDR), and nociceptive specific (NS) neurons following noxious pinch stimulation and high-intensity mechanical stimulation in rats. It demonstrates strong penetration into the central nervous system (CNS) .

Chemical Information

A-967079

a TRPA1 channel antagonist; structure in first source

CAS Number1170613-55-4
PubChem CID42641861
IUPAC Name(NE)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
Molecular FormulaC12H14FNO
Molecular Weight207.24
XLogP3.2
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity252
SMILES
CC/C(=N\O)/C(=C/C1=CC=C(C=C1)F)/C
InChI
InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
InChIKey
HKROEBDHHKMNBZ-CHBKHGQFSA-N
Chemical Structure
2D Structure
2D structure of A-967079
CAS: 1170613-55-4
CID: 42641861
Formula: C12H14FNO
MW: 207.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.24
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass207.105942232
Monoisotopic Mass207.105942232
Topological Polar Surface Area32.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B7702-10A 967079
GTR19167776-01A-967079
A12353-100A 967079 100mg

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