Molecules 2021, 26, 482
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was evaporated to give the crude product as a solid, which was washed with diethyl ether
to afford N-succinyl-L-phenylalanine p-nitroanilide (0.240 g, 89% yield). [23]
1
N-Succinyl-L-phenylalanine p-nitroanilide: H NMR (400 MHz, DMSO)
δ
= 10.66 (s,
1H, -NHC(O)-), 8.42 (d, J = 7.6 Hz, 1H, -NHCH(Bn)C(O)), 8.22 (d, J = 9.2 Hz, 2H, Ar-H),
7.84 (d, J = 9.2 Hz, 2H, Ar-H), 7.17–7.29 (m, 5H, -C6H5), 4.63–4.68 (m, 1H, -NHCH(Bn)C(O)),
3.05 (dd, J = 5.2 Hz, 13.6 Hz, 1H, Ph-CH2-), 2.88 (dd, J = 9.2 Hz, 13.6 Hz, 1H, Ph-CH2-),
2.326–2.383 (m, 4H, -C2H4CO2H) ppm.
3.2.6. Synthesis of Boc-Protected Probe Boc-P1
To a 200 mL round-bottomed flask, N-succinyl-L-phenylalanine p-nitroanilide (0.212 g,
0.57 mmol), dichloromethane (35 mL), HOBt (0.0827 g, 0.615 mmol), and DIC (0.0827 g,
0.659 mmol) were added. After stirring for 10 min at ambient temperature, amide
6
(0.2298 g, 0.57 mmol) was added. The reaction mixture was stirred at ambient temperature
for 70 min and thereby evaporated, and the obtained residue was dissolved in ethyl acetate.
The organic layer was washed with sat. NaOH aq., 1 M HCl aq. and then with sat. NaHCO3
aq. and dried with Na2SO4. After filtration, the filtrate was dried under reduced pressure
to afford the crude product as a solid, which was washed with t-butyl methyl ether to give
Boc-protected P1 (0.351 g, 80% yield).
Boc-P1 1H NMR (400 MHz, DMSO)
δ = 10.63 (s, 1 H, NH), 10.41 (d, J = 17.2 Hz, 1 H,
NH), 8.50 (s, 1 H, NH), 8.30 (s, 1 H, NH), 8.17 (dd, J = 24 Hz, 9.2 Hz, 2 H, Ar-H), 7.85 (t, J =
10.0 Hz, 2 H, Ar-H), 7.79 (d, J = 6.4 Hz, 1 H, Ar-H), 7.66 (d, J = 17.6 Hz,8.4 Hz, 1 H, Ar-H),
7.48 (t, J = 11 Hz, 1 H, Ar-H), 7.29–7.26 (m, 4 H, -C6H5), 7.27 (s, 1 H, -C6H5), 6.76 (s, 1 H,
NH), 6.26 (d, J = 5.2 Hz, 1 H, Ar-H), 4.64 (s, 1 H, Ph-CH2CH-), 4.31 (s, 1 H, -C(O)NHCH-),
3.16–3.07 (m, 1 H, Ph-CH2-), 2.87 (s, 3 H, -NHC(O) CH2-, Ph-CH2-), 2.37 (d, J = 12 Hz, 7 H,
-CH3, -C2H4C(O)-), 1.699–1.23 (m, 15 H, -CH3, -CHC3H6-, -C(CH3)3) ppm. HRMS (FAB,
m/z) calc. 551.2294, found 551.2310.
3.2.7. Synthesis of P1
To a 200 mL round-bottomed flask, Boc-P1 (0.3784 g, 0.49 mmol) and dichloromethane
(30 mL) were added. TFA (5 mL) was added to the solution, and the reaction mixture
was stirred at ambient temperature for 3 h. After removal of volatiles, the obtained crude
product was washed with t-butyl methyl ether and dried in vacuo to afford P1 as a TFA
adduct (0.105 g, 32% yield).
P1 1H NMR (400 MHz, DMSO)
δ = 10.57 (d, J = 8.0 Hz, 1 H, NH), 10.37 (d, J = 22 Hz,
1 H, NH), 8.46 (d, J = 8.4 Hz, 1 H, NH), 8.29 (d, J = 7.2 Hz, 1 H, NH), 8.37–8.164 (m, 2 H,
Ar-H), 7.87–7.79 (m, 3 H, Ar-H), 7.67 (t, J = 9.8 Hz, 1 H, Ar-H), 7.61 (s, 2 H, NH2), 7.47 (t, J =
8.0 Hz, 1 H, Ar-H), 7.29–7.26 (m, 4 H, -C6H5), 7.19 (s, 1 H, -C6H5), 6.26 (d, J = 1.2 Hz, 1 H,
Ar-H), 4.64 (s, 1 H, Ph-CH2CH-), 4.35 (s, 1 H, -NHC(O)CH-), 3.10 (dd, J = 14 Hz, 5.2 Hz, 1
H, Ph-CH2-), 2.87 (t, J = 12.6 Hz, 1 H, Ar-H), 2.76 (s, 2 H, -C(O)NHCH2-), 2.37 (d, J = 16 Hz,
7 H, -CH3, -C2H4C(O)-), 1.74–1.32 (m, 6 H, -CHC3H6-) ppm. 13C NMR
δ (CDCl3) = 18.4,
22.9, 27.0, 27.3, 30.9, 31.4, 37.6, 38.9, 49.2, 54.0, 55.7, 106.25, 112.7, 115.5, 115.8, 116.3, 119.5,
125.3, 126.2, 126.9, 128.6, 129.6, 138.0, 142.7, 145.4, 153.5, 154.0, 158.2, 158.6, 160.5, 171.8,
172.0, 172.4, 172.5 ppm. HRMS (FAB, m/z) calc. 551.2294, found 551.2310.
3.2.8. Synthesis of L-lysin 4-methylcoumaryl-7-amide (1d)
To a 200 mL round-bottomed flask, ε-Boc-L-lysine 4-methylcoumaryl-7-amide (6)
(0.137 g, 0.34 mmol) and dichloromethane (30 mL) were added. TFA (5 mL) was added to
the solution, and the reaction mixture was stirred at ambient temperature for 3 h. After
removal of volatiles, the obtained crude product was washed with t-butyl methyl ether
and dried in vacuo to afford Lys-AMC 1d (0.072 g, 70% yield)
Lys-AMC 1d 1H NMR (400 MHz, DMSO)
δ = 8.4 (brs, 2 H, NH2), 7.85–7.77 (m, 4 H,
NH2, Ar-H), 7.58 (dd, J = 8.8 Hz, 2.0 Hz, 1 H, Ar-H), 6.32 (d, J = 1.2 Hz, 1 H, Ar-H), 5.58 (d,
J = 8.0 Hz, 1 H, Ar-H), 4.09–4.06 (brm, 1 H, -NHC(O)CH-), 2.81–2.74 (brm, 2 H, -CH2NH2),