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Capsaicin-d3

CAT: 0804-HY-10448S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10448S1-01Size:1 mg
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Description
Capsaicin-d3 is the deuterium labeled Capsaicin. Capsaicin ((E) -Capsaicin), an active component of chili peppers, is a TRPV1 agonist. Capsaicin has pain relief, antioxidant, anti-inflammatory and anti-cancer effects[1][2].
CAS Number
1217899-52-9
Product Name Alternative
(E) -Capsaicin-d3
UNSPSC
12352005
Hazard Statement
H301
Target
Apoptosis; Autophagy; Endogenous Metabolite; Isotope-Labeled Compounds; TRP Channel
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; Autophagy; Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling; Others
Field of Research
Cancer
Solubility
10 mM in DMSO
Smiles
CC(C)/C=C/CCCCC(NCC1=CC(OC([2H])([2H])[2H])=C(C=C1)O)=O
Molecular Formula
C18H24D3NO3
Molecular Weight
308.43
Precautions
H301
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Anandakumar P, et al. Capsaicin provokes apoptosis and restricts benzo (a) pyrene induced lung tumorigenesis in Swiss albino mice. Int Immunopharmacol. 2013 Jun 6;17 (2) :254-259.|[3]Shin YH, et al. The Effect of Capsaicin on Salivary Gland Dysfunction. Molecules. 2016 Jun 25;21 (7) .|[4]McNamara FN, et al. Effects of piperine, the pungent component of black pepper, at the human vanilloid receptor (TRPV1) . Br J Pharmacol. 2005 Mar;144 (6) :781-90.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Capsaicin

Capsaicin is a capsaicinoid. It has a role as a TRPV1 agonist, a non-narcotic analgesic and a voltage-gated sodium channel blocker.

CAS Number1217899-52-9
PubChem CID1548943
IUPAC Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
Molecular FormulaC18H27NO3
Molecular Weight305.4
XLogP3.6
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity341
SMILES
CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChIKey
YKPUWZUDDOIDPM-SOFGYWHQSA-N
Chemical Structure
2D Structure
2D structure of Capsaicin
CAS: 1217899-52-9
CID: 1548943
Formula: C18H27NO3
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass305.19909372
Monoisotopic Mass305.19909372
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes