Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H19N7O2 |
| Molecular Weight | 388.4113 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[11CH3]OC1=CC=C(CCCN2N=CC3=C2N=C(N)N4N=C(N=C34)C5=CC=CO5)C=C1
InChI
InChIKey=AEULVFLPCJOBCE-BJUDXGSMSA-N
InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)/i1-1
[11C]-SCH-442416 was designed and synthesized by scientists at the University of Milano-Bicocca with the intent of development as a PET imaging probe. [11C]-SCH-442416 demonstrates a selective high affinity as an antagonist of the A2A Adenosine Receptor with a Ki of 0.48 nM. [11C]-SCH-442416 has demonstrated the ability to cross the blood-brain barrier and has been used as an imaging agent in a number of animals studies and at least one clinical trial in healthy human volunteers. It should be noted that the non-radio labeled form of SCH-442416 has been investigated in rats for the treatment of addictive behaviors.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P29274 Gene ID: 135.0 Gene Symbol: ADORA2A Target Organism: Homo sapiens (Human) |
0.048 nM [Ki] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Diagnostic | Unknown Approved UseUnknown |
|||
| Diagnostic | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Design, radiosynthesis, and biodistribution of a new potent and selective ligand for in vivo imaging of the adenosine A(2A) receptor system using positron emission tomography. | 2000 Nov 16 |
|
| In vivo imaging of adenosine A2A receptors in rat and primate brain using [11C]SCH442416. | 2005 Apr |
|
| Brain adenosine A2A receptor occupancy by a novel A1/A2A receptor antagonist, ASP5854, in rhesus monkeys: relationship to anticataleptic effect. | 2008 Jul |
|
| An open-label, positron emission tomography study to assess adenosine A2A brain receptor occupancy of vipadenant (BIIB014) at steady-state levels in healthy male volunteers. | 2010 Mar-Apr |
Sample Use Guides
In a phase 1 clinical trial 370 MBq of [11C]-SCH442416 was administered to healthy volunteers intravenously as a bolus injection over 30 seconds following the start of each PET scan. The diagnostic objective is to monitor the extent to which another compound (BIIB014) will occupy the brain's A2A receptors after 8 to 12 days of dosing.
Route of Administration:
Intravenous
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63K7WDR6RX
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SUBSTANCE RECORD
