(18F)-PR-04.MZ

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24FNO2
Molecular Weight	328.411
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C3=CC=C(C)C=C3)C(=O)OC)N2CC#CC[18F]

InChI

InChIKey=UTLIGDFWNZZYCH-JCJXGDNQSA-N

InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1/i21-1

HIDE SMILES / InChI

Molecular Formula	C20H24FNO2
Molecular Weight	328.411
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:36:42 GMT 2023` Edited by `admin` on `Sat Dec 16 11:36:42 GMT 2023`
Record UNII	DNN9JMJ58X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(18F)-PR-04.MZ

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(4-(FLUORO-18F)-2-BUTYN-1-YL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-

Systematic Name

English

METHYL (1S,3S,4S,5R)-8-(4-(FLUORO-18F)-ANYLBUT-2-YNYL)-3-(P-TOLYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

71725287

Created by admin on Sat Dec 16 11:36:42 GMT 2023 , Edited by admin on Sat Dec 16 11:36:42 GMT 2023

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CAS

1192248-77-3

Created by admin on Sat Dec 16 11:36:42 GMT 2023 , Edited by admin on Sat Dec 16 11:36:42 GMT 2023

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FDA UNII

DNN9JMJ58X

Created by admin on Sat Dec 16 11:36:42 GMT 2023 , Edited by admin on Sat Dec 16 11:36:42 GMT 2023

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Related Record Type Details


					DNN9JMJ58X

(18F)-PR-04.MZ

ACTIVE MOIETY

Comments:

N-4-Fluorobut-2-yn-1-yl-2.BETA.-carbomethoxy-3.BETA.-phenyltropane (PR04.MZ) has been developed as dopamine transporter (DAT) ligand for mol. imaging. It contains a terminally fluorinated, conformationally constrained nitrogen substituent that is well suited for the introduction of fluorine-18. The present report describes the pharmacol. characterization of (18F)PR04.MZ. The ligand shows an IC50 value of 2 nM against human DAT, whereas the IC50 value against human serotonin transporter and human noradrenaline transporter are lower (110 nM and 22 nM, resp.). Furthermore, its ex vivo organ distribution, its binding profile in the rat brain and reversibility of binding were examd. A .MU.PET study illuminates a fast kinetic profile and specific binding to rat DAT.