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CB2 receptor antagonist 1

CAT: 0804-HY-147707Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147707Size:1 Each
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Description
Hexyl resorcinol derivative 29 has been proved to be a CB2 selective competitive antagonist / reverse agonist with good potency. Olivanol and 5- (2-methyloctane-2-yl) resorcinol derivatives 23 and 24 showed significant antinociceptive activity. Compound 24 was shown to activate cannabinoid and TRPV1 receptors.
CAS Number
2772693-05-5
UNSPSC
12352005
Target
Cannabinoid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cb2-receptor-antagonist-1.html
Solubility
10 mM in DMSO
Smiles
CCCCCCC1=CC=C(C=C1OC)OCCCCCCCCCCC(NCC2CC2)=O
Molecular Formula
C28H47NO3
Molecular Weight
445.68
References & Citations
[1]Brizzi A, et al. Synthetic bioactive olivetol-related amides: The influence of the phenolic group in cannabinoid receptor activity. Bioorg Med Chem. 2020 Jun 1;28 (11) :115513.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CB2 receptor antagonist 1
CAS Number2772693-05-5
PubChem CID156012112
IUPAC NameN-(cyclopropylmethyl)-11-(4-hexyl-3-methoxyphenoxy)undecanamide
Molecular FormulaC28H47NO3
Molecular Weight445.7
XLogP8.6
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Heavy Atom Count32
Formal Charge0
Complexity466
SMILES
CCCCCCC1=C(C=C(C=C1)OCCCCCCCCCCC(=O)NCC2CC2)OC
InChI
InChI=1S/C28H47NO3/c1-3-4-5-12-15-25-19-20-26(22-27(25)31-2)32-21-14-11-9-7-6-8-10-13-16-28(30)29-23-24-17-18-24/h19-20,22,24H,3-18,21,23H2,1-2H3,(H,29,30)
InChIKey
RYKOIAODKINGEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CB2 receptor antagonist 1
CAS: 2772693-05-5
CID: 156012112
Formula: C28H47NO3
MW: 445.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.7
XLogP38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Exact Mass445.35559436
Monoisotopic Mass445.35559436
Topological Polar Surface Area47.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity466
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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