Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H15FN2 |
| Molecular Weight | 205.2618 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[18F]C1=NC=C(C=C1)[C@@H]2C[C@H]3CCC[C@@H]2N3
InChI
InChIKey=FDFUKZJWVPEZEH-MEPPPMTQSA-N
InChI=1S/C12H15FN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2/t9-,10+,11+/m1/s1/i13-1
| Molecular Formula | C12H15FN2 |
| Molecular Weight | 205.2618 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:44:23 UTC 2023
by
admin
on
Sat Dec 16 11:44:23 UTC 2023
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| Record UNII |
CN2ULA1988
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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1012885-77-6
Created by
admin on Sat Dec 16 11:44:23 UTC 2023 , Edited by admin on Sat Dec 16 11:44:23 UTC 2023
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CN2ULA1988
Created by
admin on Sat Dec 16 11:44:23 UTC 2023 , Edited by admin on Sat Dec 16 11:44:23 UTC 2023
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PRIMARY | |||
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71724875
Created by
admin on Sat Dec 16 11:44:23 UTC 2023 , Edited by admin on Sat Dec 16 11:44:23 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
()-18F-flubatine is a promising tracer for neuroimaging of nicotinic acetylcholine receptors (nAChRs), subtype .ALPHA.4.BETA.2, using PET. Results: After the injection of ()-18F-flubatine, there were no adverse or clinically detectable pharmacologic effects in any of the subjects. The highest activities after injection were found in the kidneys, urinary bladder, and liver. The urinary bladder receives the highest OD in all investigated species, followed by the kidneys and the liver for animals and humans, respectively. On the basis of mouse, piglet, and human kinetic data, the projected human ED of ()-18F-flubatine was estimated to be 12.5 .MU.Sv/MBq in mice, 14.7 +/- 0.7 .MU.Sv/MBq in piglets, and 23.4 +/- 0.4 .MU.Sv/MBq in humans.
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ACTIVE MOIETY |
Both enantiomers of the epibatidine analogue flubatine display high affinity towards the a4b2 nicotinic acetylcholine receptor (nAChR) in vitro, accompanied by negligible interactions with diverse off-target proteins. Extended single dose toxicity studies in rodent indicated a NOEL (No Observed Effect Level) of 6.2 ug/kg for (-)-flubatine.
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