Home Indole and Oxindoles 895155-26-7
895155-26-7,MFCD22421643
Catalog No.:AA0087EI

895155-26-7 | (1-(2-Morpholinoethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

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  • Technical Information
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  • Literature
Technical Information
Catalog Number:
AA0087EI
Chemical Name:
(1-(2-Morpholinoethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CAS Number:
895155-26-7
Molecular Formula:
C22H30N2O2
Molecular Weight:
354.4858
MDL Number:
MFCD22421643
SMILES:
O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CCN1CCOCC1
Properties
Computed Properties
 
Complexity:
524  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
3.4  

Literature

Title: Homology modeling in tandem with 3D-QSAR analyses: a computational approach to depict the agonist binding site of the human CB2 receptor.

Journal: European journal of medicinal chemistry 20110901

Title: Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2.

Journal: European journal of medicinal chemistry 20110201

Title: Indol-3-ylcycloalkyl ketones: effects of N1 substituted indole side chain variations on CB(2) cannabinoid receptor activity.

Journal: Journal of medicinal chemistry 20100114

Title: Indol-3-yl-tetramethylcyclopropyl ketones: effects of indole ring substitution on CB2 cannabinoid receptor activity.

Journal: Journal of medicinal chemistry 20080327

Title: Imine derivatives as new potent and selective CB2 cannabinoid receptor agonists with an analgesic action.

Journal: Bioorganic & medicinal chemistry 20080201

Title: In vitro and in vivo characterization of A-796260: a selective cannabinoid CB2 receptor agonist exhibiting analgesic activity in rodent pain models.

Journal: British journal of pharmacology 20080101

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SDS
Tags:895155-26-7 Molecular Formula|895155-26-7 MDL|895155-26-7 SMILES|895155-26-7 (1-(2-Morpholinoethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone