Home Other Building Blocks (2-iodanylphenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone

(2-iodanylphenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone

CAS No.:
444912-75-8
Catalog Number:
AG00DMQ8
Molecular Formula:
C22H23IN2O
Molecular Weight:
458.3353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$147
- +
10mg
≥98%
1 week
United States
$250
- +
25mg
≥98%
1 week
United States
$418
- +
Product Description
Catalog Number:
AG00DMQ8
Chemical Name:
(2-iodanylphenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
CAS Number:
444912-75-8
Molecular Formula:
C22H23IN2O
Molecular Weight:
458.3353
MDL Number:
MFCD21603816
IUPAC Name:
(2-iodophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
InChI:
InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
InChI Key:
KSLCYQTUSSEGPT-UHFFFAOYSA-N
SMILES:
CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1ccccc1I
Properties
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.086g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.343g/mol
Monoisotopic Mass:
458.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Identification of a novel cannabimimetic phenylacetylindole, cannabipiperidiethanone, as a designer drug in a herbal product and its affinity for cannabinoid CB₁ and CB₂ receptors. Chemical & pharmaceutical bulletin 20110101
Antiobesity efficacy of a novel cannabinoid-1 receptor inverse agonist, N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxy]propanamide (MK-0364), in rodents. The Journal of pharmacology and experimental therapeutics 20070601
Evaluation of the in vivo receptor occupancy for the behavioral effects of cannabinoids using a radiolabeled cannabinoid receptor agonist, R-[125/131I]AM2233. Synapse (New York, N.Y.) 20060801
F200A substitution in the third transmembrane helix of human cannabinoid CB1 receptor converts AM2233 from receptor agonist to inverse agonist. European journal of pharmacology 20060215
Potent cannabinergic indole analogues as radioiodinatable brain imaging agents for the CB1 cannabinoid receptor. Journal of medicinal chemistry 20051006
Synthesis and structure-activity relationship of a novel series of aminoalkylindoles with potential for imaging the neuronal cannabinoid receptor by positron emission tomography. Journal of medicinal chemistry 20050908
Properties