XTRA F-18

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=CC=CN=C4[18F]

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

HIDE SMILES / InChI

Molecular Formula	C17H18FN3
Molecular Weight	282.3459
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	03K6PV11JY
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

(18F)XTRA

Preferred Name

English

XTRA F-18

Code

English

(-)-7-METHYL-2-EXO-(3-(2-(FLUORO-18F)-PYRIDIN-3-YL)-5-PYRIDINYL)-7-AZABICYCLO(2.2.1)HEPTANE

Systematic Name

English

(1S,3R,4R)-3-(5-(2-(18F)FLUORANYL-3-PYRIDYL)-3-PYRIDYL)-7-METHYL-7-AZABICYCLO(2.2.1)HEPTANE

Systematic Name

English

Showing 1 to 4 of 4 entries

Previous1Next

Show entries

Code System

Code

Type

Description

FDA UNII

03K6PV11JY

PRIMARY

PUBCHEM

145722025

PRIMARY

CAS

1044503-85-6

PRIMARY

Showing 1 to 3 of 3 entries

Previous1Next

Show entries

Related Record

Type

Details


					HG7V4AMY2Z

?4?2 Nicotinic acetylcholine receptor

TARGET->RADIOLIGAND

Amount:


					4DU7SLR35U

XTRA

NON-LABELED -> LABELED

Amount:

Showing 1 to 2 of 2 entries

Previous1Next

Show entries

Related Record

Type

Details


					03K6PV11JY

XTRA F-18

ACTIVE MOIETY

Comments:

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.

Amount:

Showing 1 to 1 of 1 entries

Previous1Next