Table 1. Analytical data of monovalent and bivalent ligands for hMC4R.
liganda | molecular formula | no of atoms present in the linker | Estimated linker length (Å) | MSb | HPLCc (tR, min) | ||
---|---|---|---|---|---|---|---|
calcd | observed | ||||||
1 | C96 H131 N27 O21 | 36 | 10-20 | 1999.2 | 2000.1a | 11.9 | |
2 | C117 H161 N33 O27 | 54 | 15-30 | 2460.2 | 2461.2a | 11.9 | |
3 | C140 H196 N39 O33 | 72 | 20-40 | 2922.5 | 2924.1a | 11.9 | |
4 | C103 H153 N25 O27 | 58 | 13-46 | 2173.5 | 2174.4a | 12.3 | |
5 | C68 H97 N17 O15 | 20 | 4-18 | 1392.5 | 1393.6b | 12.5 | |
6 | C82 H123 N19 O21 | 40 | 8-36 | 1709.9 | 1710.6b | 12.5 | |
7 | C148 H197 N41 O29 | 36 | 10-20 | 3014.4 | 3016.4a | N.D | |
8 | C169 H227 N47 O35 | 54 | 15-30 | 3476.9 | 3478.5a | 13.2 | |
9 | C194 H267 N53 O41 | 72 | 20-40 | 3997.5 | 3940.9a | 13.1 | |
10 | C155 H219 N39 O35 | 58 | 13-46 | 3186.6 | 3188.1a | 13.6 | |
11 | C120 H163 N31 O23 | 20 | 4-18 | 2407.7 | 2407.3a | 14.0 | |
12 | C134 H189 N33 O29 | 40 | 8-36 | 2726.1 | 2727.0a | 13.9 | |
13 | C144 H197 N40 O31 | 36 | 10-20 | 2955.3 | 2955.0a | 12.0 | |
14 | C165 H227 N46 O37 | 54 | 15-30 | 3417.0 | 3417.0a | 12.0 | |
15 | C186 H257 N52 O43 | 72 | 20-40 | 3880.2 | 3880.7a | 12.0 | |
16 | C151 H219 N38 O37 | 58 | 13-46 | 3129.4 | 3129.2a | 12.2 | |
17 | C116 H163 N30 O25 | 20 | 4-18 | 2348.6 | 2348.6a | 12.4 | |
18 | C130 H189 N32 O31 | 40 | 8-36 | 2665.4 | 2666.8a | 12.5 |
- SHU9119; - MSH(7); - PEGO moiety; - (Pro-Gly)3
N-terminus: acetylated; C-terminus: amidated.
(M + H)+, ESI method (Finnigan, Thermoelectron, LCQ classic).
Performed on a Waters Alliance 2695 HPLC using a reverse-phase column (Jupiter 5U C18 300A; 2.2 × 2.5 cm) in gradient system (10-40% of acetonitrile containing 0.1% TFA within 30 min, 1 mL/min).