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. Author manuscript; available in PMC: 2015 Nov 15.
Published in final edited form as: Bioorg Med Chem. 2014 Oct 2;22(22):6360–6365. doi: 10.1016/j.bmc.2014.09.055

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 graphic file with name nihms636222t1.jpg C96 H131 N27 O21 36 10-20 1999.2 2000.1a 11.9
2 graphic file with name nihms636222t2.jpg C117 H161 N33 O27 54 15-30 2460.2 2461.2a 11.9
3 graphic file with name nihms636222t3.jpg C140 H196 N39 O33 72 20-40 2922.5 2924.1a 11.9
4 graphic file with name nihms636222t4.jpg C103 H153 N25 O27 58 13-46 2173.5 2174.4a 12.3
5 graphic file with name nihms636222t5.jpg C68 H97 N17 O15 20 4-18 1392.5 1393.6b 12.5
6 graphic file with name nihms636222t6.jpg C82 H123 N19 O21 40 8-36 1709.9 1710.6b 12.5
7 graphic file with name nihms636222t7.jpg C148 H197 N41 O29 36 10-20 3014.4 3016.4a N.D
8 graphic file with name nihms636222t8.jpg C169 H227 N47 O35 54 15-30 3476.9 3478.5a 13.2
9 graphic file with name nihms636222t9.jpg C194 H267 N53 O41 72 20-40 3997.5 3940.9a 13.1
10 graphic file with name nihms636222t10.jpg C155 H219 N39 O35 58 13-46 3186.6 3188.1a 13.6
11 graphic file with name nihms636222t11.jpg C120 H163 N31 O23 20 4-18 2407.7 2407.3a 14.0
12 graphic file with name nihms636222t12.jpg C134 H189 N33 O29 40 8-36 2726.1 2727.0a 13.9
13 graphic file with name nihms636222t13.jpg C144 H197 N40 O31 36 10-20 2955.3 2955.0a 12.0
14 graphic file with name nihms636222t14.jpg C165 H227 N46 O37 54 15-30 3417.0 3417.0a 12.0
15 graphic file with name nihms636222t15.jpg C186 H257 N52 O43 72 20-40 3880.2 3880.7a 12.0
16 graphic file with name nihms636222t16.jpg C151 H219 N38 O37 58 13-46 3129.4 3129.2a 12.2
17 graphic file with name nihms636222t17.jpg C116 H163 N30 O25 20 4-18 2348.6 2348.6a 12.4
18 graphic file with name nihms636222t18.jpg C130 H189 N32 O31 40 8-36 2665.4 2666.8a 12.5

Inline graphic- SHU9119; Inline graphic- MSH(7); Inline graphic- PEGO moiety; Inline graphic- (Pro-Gly)3

a

N-terminus: acetylated; C-terminus: amidated.

b

(M + H)+, ESI method (Finnigan, Thermoelectron, LCQ classic).

c

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).