Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H24Cl2FN3O3S |
Molecular Weight | 487.405 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCS(=O)(=O)N1CCC(CNC(=O)C2=C(Cl)C=C(Cl)C=C2)(CC1)C3=NC([18F])=CC=C3
InChI
InChIKey=VFUYRAIYZIADKB-MIGPCILRSA-N
InChI=1S/C21H24Cl2FN3O3S/c1-2-12-31(29,30)27-10-8-21(9-11-27,18-4-3-5-19(24)26-18)14-25-20(28)16-7-6-15(22)13-17(16)23/h3-7,13H,2,8-12,14H2,1H3,(H,25,28)/i24-1
Molecular Formula | C21H24Cl2FN3O3S |
Molecular Weight | 487.405 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:40:48 GMT 2023
by
admin
on
Sat Dec 16 11:40:48 GMT 2023
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Record UNII |
O1O01VG3TL
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Record Status |
Validated (UNII)
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Record Version |
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-
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16123793
Created by
admin on Sat Dec 16 11:40:48 GMT 2023 , Edited by admin on Sat Dec 16 11:40:48 GMT 2023
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934200-21-2
Created by
admin on Sat Dec 16 11:40:48 GMT 2023 , Edited by admin on Sat Dec 16 11:40:48 GMT 2023
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PRIMARY | |||
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O1O01VG3TL
Created by
admin on Sat Dec 16 11:40:48 GMT 2023 , Edited by admin on Sat Dec 16 11:40:48 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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ACTIVE MOIETY |
The effective dose from sequential whole-body dosimetry scans in three male subjects was estimated to be 24.5+/-2.9 undefinedSV/MBq (mean+/-SD). The time-activity curves from T-RT scans modeled satisfactorily using a two tissue compartmental model. The tracer uptake was highest in the pons (VT =6.7+/-0.9, BPND =4.1+/-0.43) and lowest in the cortex (VT =2.1+/-0.5, BPND =0.60+/-0.23). VT T-RT variability measured in three subjects was <12% on average. The occupancy scans performed in a cohort of 15 subjects indicated absence of a reference region. The in vivo potency (Occ50 ) of MK-2637 was determined using two methods: A: Lassen plot with a population input function (Occ50 =106 nM, SE=20 nM) and B: pseudo reference tissue model using cortex as the pseudo reference region (Occ50 =141 nM, SE=21 nM).
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ACTIVE MOIETY |
Compartmental and Logan graphical analysis were utilized for quantification of the (18F)MK-6577 binding using the measured tracer arterial input function. The stability of the tracer volume of distribution relative to scan length was assessed. The proposed model-based input function method takes advantage of the agreement between the tracer concentration in arterial and venous plasma from ~5 min. The approach estimates the initial peak of the input curve by adding a gamma like function term to the measured venous curve. The parameters of the model function were estimated by simultaneously fitting several brain time activity curves to a compartmental model.
Good agreement was found between the model-based and the measured arterial plasma curve and the corresponding distribution volumes. The Logan analysis was the preferred method of analysis providing reliable and stable volume of distribution and occupancy results using a 90 and possibly 60 min scan length. The model-based input function method and Logan analysis are well suited for quantification of (18F)MK-6577 binding and GlyT1 occupancy in monkey brain.
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