Table 1.
Measured and Computed Properties of Radiotracers 1 – 18, Listed in Ascending Order of mlogD
Entry | Radiotracer | M. wt.a | tPSA b (Å) | pKac |
clogP
|
clogD
|
mlogDd |
fP
|
mlogDpr/pl
|
||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pallas | ACD | Pallas | ACD | Monkeye | Humane | Monkeye | Humane | ||||||
1 | [11C]CUMI-101 | 372.5 | 56 | 9.25 9.13 |
1.49 | 0.00 | −0.47 | −0.19 | 1.13 ± 0.02 | 0.594 ± 0.016 | 0.442 ± 0.003* | −0.165 ± 0.029 | 0.101 ± 0.006* |
2 | [11C]RX-1 | 320.5 | 65 | 8.47 | 2.16 | 2.62 | 1.06 | 2.39 | 1.77 ± 0.01 | 0.450 ± 0.0289 | ND | 0.087 ± 0.051 | ND |
3 | [11C](R)-Rolipram | 275.3 | 48 | 7.61 | 2.35 | 1.41 | 1.93 | 1.41 | 2.16 ± 0.01 | 0.238 ± 0.0545 | 0.0580 ± 0.0327* | 0.512 ± 0.132 | 1.26 ± 0.26* |
4 | [18F]SP203 | 260.2 | 36 | 0.39 | 3.66 | 2.97 | 3.66 | 2.97 | 2.18 ± 0.22 | ND | 0.0550 ± 0.0165 | ND | 1.25 ± 0.13 |
5 | [11C]DASB | 283.4 | 34 | 7.28 | 2.37 | 2.87 | 2.12 | 1.49 | 2.47 ± 0.02 | 0.120 ± 0.015 | 0.109 ± 0.029 | 0.868 ± 0.063 | 0.921 ± 0.124 |
6 | [18F]SL702 | 385.4 | 54 | 8.39 | 2.70 | 2.69 | 1.67 | 2.68 | 2.50 ± 0.01 | 0.238 ± 0.052 | ND | 0.511 ± 0.122 | N.D. |
7 | [11C]dLop | 463.0 | 53 | 8.05 | 4.51 | 3.71 | 3.77 | 3.04 | 2.60 ± 0.04 | 0.154 ± 0.018 | 0.123 ± 0.015 | 0.742 ± 0.063 | 0.853 ± 0.060 |
8 | [18F]FECNT | 325.8 | 30 | 6.99 | 3.47 | 3.31 | 3.33 | 2.28 | 2.64 ± 0.02 | 0.0873 ± 0.0255 | 0.0577 ± 0.0045 | 1.03 ± 0.14 | 1.21 ± 0.04 |
9 | [18F]XB-1 | 351.4 | 30 | 9.29 | 4.79 | 4.84 | 2.90 | 2.28 | 2.95 ± 0.01 | 0.0193 ± 0.0044 | 0.0175 ± 0.0014f | 1.71 ± 0.11 | 1.75 ± 0.03f |
10 | [11C]PBR28 | 348.4 | 51 | 6.58 | 2.56 | 3.30 | 2.50 | 3.29 | 3.01 ± 0.00 | 0.0560 ± 0.0125 | 0.0367 ± 0.0060 | 1.24 ± 0.11 | 1.42 ± 0.07 |
11 | [11C]Loperamide | 477.0 | 44 | 8.01 | 4.55 | 4.26 | 3.85 | 3.53 | 3.04 ± 0.00 | 0.0512 ± 0.0036 | ND | 1.27 ± 0.11 | ND |
12 | [11C](R)-WAY | 435.6 | 36 | 8.66 | 4.29 | 5.00 | 3.01 | 4.83 | 3.16 ± 0.35 | 0.0273 ± 0.0097 | 0.0063 ± 0.0015* | 1.57 ± 0.15 | 2.20 ± 0.10* |
13 | [11C]NOP-1A | 420.5 | 42 | 7.47 | 3.61 | 5.21 | 3.27 | 4.36 | 3.41 ± 0.07 | 0.114 ± 0.005 | 0.0977 ± 0.0152 | 0.892 ± 0.02 | 0.969 ± 0.074 |
14 | [11C]PBR01 | 375.4 | 56 | 4.40 | 3.29 | 4.06 | 3.29 | 4.06 | 3.90 ± 0.02 | 0.0098 ± 0.0075 | 0.0072 ± 0.0086 | 2.15 ± 0.49 | 2.41 ± 0.620 |
15 | [11C](R)-PK11195 | 352.9 | 33 | 3.53 | 4.89 | 4.58 | 4.89 | 4.58 | 3.97 ± 0.18 | 0.0207 ± 0.0085 | 0.0047 ± 0.0006* | 1.71 ± 0.21 | 2.33 ± 0.06* |
16 | [18F]FBR | 395.4 | 48 | 4.99 | 3.96 | 4.09 | 3.95 | 4.09 | 4.05 ± 0.02 | 0.0217 ± 0.0078 | 0.0040 ± 0.0030* | 1.68 ± 0.18 | 2.52 ± 0.44* |
17 | [18F]S14506 | 392.5 | 33 | 8.39 | 4.14 | 4.08 | 3.11 | 3.93 | 4.14 ± 0.06 | 0.0059 ± 0.0023 | 0.0037 ± 0.0009f | 2.25 ± 0.17 | 2.44 ± 0.11f |
18 | [18F]FMPEP- d2 | 474.5 | 42 | 6.86 | 4.74 | 5.36 | 4.63 | 5.32 | 4.24 ± 0.08 | 0.0041 ± 0.0001 | 0.0050 ± 0.0017 | 2.39 ± 0.01 | 2.31 ± 0.14 |
Significantly lower than monkey value (P < 0.05).
ND, not determined.
For nonradioactive compound.
Total polar surface area from Chem-Draw Ultra 11.0.
Computed with Pallas 3.70; compound 1 has 2 values.
Mean ± SD for n = 6.
Mean ± SD for n = 3.
Measured on pooled human plasma that had been stored at −70°C.