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AP 18

CAT: 0931-T21543-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21543-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55224-94-7
Target
TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9996
Bioactivity
AP-18 is a potent and selective TRPA1 inhibitor. AP-18 inhibits activation of TRPA1 induced by 50 μM Cinnamaldehyde with an IC50 of 3.1 μM and 4.5 μM for human and mouse TRPA1, respectively. AP-18 could reverse complete Freund's adjuvant (CFA) -induced mechanical hyperalgesia in mice. AP-18 could attenuate Yo-Pro uptake induced by 30 μM AITC in a concentration-dependent manner (IC50= 10.3 μM) .
Smiles
C\C(=C/c1ccc(Cl)cc1)\C(\C)=N\O
Molecular Formula
C11H12ClNO
Molecular Weight
209.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ap-18
CAS Number55224-94-7
PubChem CID9584673
IUPAC Name(NE)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
Molecular FormulaC11H12ClNO
Molecular Weight209.67
XLogP3.3
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity240
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=N/O)/C
InChI
InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+
InChIKey
MHTJEUOFLVQMCL-NJHPPEEMSA-N
Chemical Structure
2D Structure
2D structure of Ap-18
CAS: 55224-94-7
CID: 9584673
Formula: C11H12ClNO
MW: 209.67
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.67
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass209.0607417
Monoisotopic Mass209.0607417
Topological Polar Surface Area32.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity240
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