Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H28N2O4 |
| Molecular Weight | 371.4588 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCOC1=C(O[11CH3])C=CC2=C1NC(=O)C(=C2)C(=O)NC3CCCCC3
InChI
InChIKey=KIVHVAVIXCVGPY-JVVVGQRLSA-N
InChI=1S/C21H28N2O4/c1-3-4-12-27-19-17(26-2)11-10-14-13-16(21(25)23-18(14)19)20(24)22-15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,22,24)(H,23,25)/i2-1
| Molecular Formula | C21H28N2O4 |
| Molecular Weight | 371.4588 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 17:15:42 GMT 2025
by
admin
on
Tue Apr 01 17:15:42 GMT 2025
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| Record UNII |
32K7UR2ZHZ
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| Record Status |
Validated (UNII)
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| Record Version |
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46880677
Created by
admin on Tue Apr 01 17:15:42 GMT 2025 , Edited by admin on Tue Apr 01 17:15:42 GMT 2025
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1192134-13-6
Created by
admin on Tue Apr 01 17:15:42 GMT 2025 , Edited by admin on Tue Apr 01 17:15:42 GMT 2025
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32K7UR2ZHZ
Created by
admin on Tue Apr 01 17:15:42 GMT 2025 , Edited by admin on Tue Apr 01 17:15:42 GMT 2025
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PRIMARY |
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TARGET->RADIOLIGAND |
Highly selective. Binding to the CB1 receptor KihCB1 >1000 nM
BINDING
Ki
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NON-LABELED -> LABELED |
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OFF TARGET->NON-BINDER |
Ki
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
INTRODUCTION: Up-regulation of the type 2 cannabinoid receptor (CB(2)R) has been reported in (neuro)inflammatory diseases. In this study, we report the preclinical evaluation of ((11)C)NE40 as positron emission tomography (PET) radioligand for visualization of the CB(2)R.
RESULTS: ((11)C)NE40 shows specific CB(2)R binding in the spleen and blood of normal rats and high brain uptake in rhesus monkey. ((11)C)NE40 showed specific and reversible binding to hCB(2)R in vivo in a rat model with local hCB(2)R overexpression.
CONCLUSIONS: ((11)C)NE40 shows favorable characteristics as radioligand for in vivo visualization of the CB(2)R and is a promising candidate for hCB(2)R PET imaging.
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ACTIVE MOIETY |
RESULTS: (11C)-NE40 showed high initial uptake in the spleen and a predominant hepatobiliary excretion. In the brain, rapid uptake and swift washout were seen. Organ absorbed doses were largest for the small intestine and liver, with 15.6 and 11.5 .MU.Gy/MBq, respectively. The mean effective dose was 3.64+/-0.81 .MU.Sv/MBq. There were no changes with aging observed. No adverse events were encountered.
CONCLUSIONS: This first-in-man study of (11C)-NE40 showed an expected biodistribution compatible with lymphoid tissue uptake and appropriate fast brain kinetics in the healthy human brain, underscoring the potential of this tracer for further application in central and peripheral inflammation imaging. The effective dose is within the typical expected range for 11C ligands.
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