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CAY10448

CAT: 0013-GTR19190602-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190602-01Size:1 mg
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Description
Capsaicin, the lipophilic compound responsible for the pungency of chili peppers, activates the TRPV1 (VR1) ion channel. CAY10448 is a potent iodinated nonivamide derivative that antagonizes this receptor with an IC50 of ~10 nM. This antagonist is widely used in vitro and in vivo to study TRPV1-mediated pain, neurogenic inflammation, and thermoregulation.
CAS Number
1177195-52-6
Smiles
C (NC (CCCCCCC (C) C) =O) C1=CC (OC) =C (O) C=C1I
Molecular Formula
C18H28INO3
Molecular Weight
433.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-Hydroxy-2-iodo-5-methoxybenzyl)-8-methylnonanamide
CAS Number1177195-52-6
PubChem CID35026498
IUPAC NameN-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide
Molecular FormulaC18H28INO3
Molecular Weight433.3
XLogP5.1
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity338
SMILES
CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC
InChI
InChI=1S/C18H28INO3/c1-13(2)8-6-4-5-7-9-18(22)20-12-14-10-17(23-3)16(21)11-15(14)19/h10-11,13,21H,4-9,12H2,1-3H3,(H,20,22)
InChIKey
WPVUDCLXIKWQHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Hydroxy-2-iodo-5-methoxybenzyl)-8-methylnonanamide
CAS: 1177195-52-6
CID: 35026498
Formula: C18H28INO3
MW: 433.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.3
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass433.11139
Monoisotopic Mass433.11139
Topological Polar Surface Area58.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity338
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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