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Home Indole and Oxindoles 444912-75-8
444912-75-8,MFCD21603816
Catalog No.:AA00DMNG

444912-75-8 | (2-iodanylphenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DMNG
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
SMILES:
CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1ccccc1I
Properties
Properties
 
MP:
142-144°C  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
499  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.9  

Literature

Title: Identification of a novel cannabimimetic phenylacetylindole, cannabipiperidiethanone, as a designer drug in a herbal product and its affinity for cannabinoid CB₁ and CB₂ receptors.

Journal: Chemical & pharmaceutical bulletin 20110101

Title: 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.

Journal: The Journal of pharmacology and experimental therapeutics 20070601

Title: Evaluation of the in vivo receptor occupancy for the behavioral effects of cannabinoids using a radiolabeled cannabinoid receptor agonist, R-[125/131I]AM2233.

Journal: Synapse (New York, N.Y.) 20060801

Title: F200A substitution in the third transmembrane helix of human cannabinoid CB1 receptor converts AM2233 from receptor agonist to inverse agonist.

Journal: European journal of pharmacology 20060215

Title: Potent cannabinergic indole analogues as radioiodinatable brain imaging agents for the CB1 cannabinoid receptor.

Journal: Journal of medicinal chemistry 20051006

Title: Synthesis and structure-activity relationship of a novel series of aminoalkylindoles with potential for imaging the neuronal cannabinoid receptor by positron emission tomography.

Journal: Journal of medicinal chemistry 20050908

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SDS
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Tags:444912-75-8 Molecular Formula|444912-75-8 MDL|444912-75-8 SMILES|444912-75-8 (2-iodanylphenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone