Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H18FN3 |
| Molecular Weight | 282.3459 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | RELATIVE |
SHOW SMILES / InChI
SMILES
CN1[C@H]2CC[C@@H]1[C@H](C2)C3=CN=CC(=C3)C4=C([18F])N=CC=C4
InChI
InChIKey=ASRVLPPSPFUIAG-XOSDRLIHSA-N
InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15+,16+/m0/s1/i18-1
| Molecular Formula | C17H18FN3 |
| Molecular Weight | 282.3459 |
| 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 11:53:11 GMT 2023
by
admin
on
Sat Dec 16 11:53:11 GMT 2023
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| Record UNII |
03K6PV11JY
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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03K6PV11JY
Created by
admin on Sat Dec 16 11:53:11 GMT 2023 , Edited by admin on Sat Dec 16 11:53:11 GMT 2023
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145722025
Created by
admin on Sat Dec 16 11:53:11 GMT 2023 , Edited by admin on Sat Dec 16 11:53:11 GMT 2023
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1044503-85-6
Created by
admin on Sat Dec 16 11:53:11 GMT 2023 , Edited by admin on Sat Dec 16 11:53:11 GMT 2023
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| Related Record | Type | Details | ||
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TARGET->RADIOLIGAND |
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NON-LABELED -> LABELED |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Recently, we discovered that XTRA (1) and AZAN (2) exhibited exceptionally high affinity and selectivity at .ALPHA.4.BETA.2-nAChRs.10 and 11 Pharmacological studies showed that they are .ALPHA.4.BETA.2-nAChRs antagonists with low side effects in mice. Their corresponding radioligands (18F)XTRA ((18F)1) and (18F)AZAN ((18F)2)10 and 11 were found to be excellent positron emission tomography (PET) radioligands in baboon. Their optimal imaging properties make them attractive candidates for further PET studies in human subjects. (18F)XTRA ((18F)1) and (18F)AZAN ((18F)2) were prepared from their corresponding bromo analogs, 3 and 4 and (18F) fluoride ion.
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