| Identifier | S2 |
|---|---|
| NMR reporting reference | Chemical shifts (δ, ppm) are reported relative to tetramethylsilane (TMS) as an internal standard |
| ¹H NMR (400 MHz, CDCl₃) | δ 6.54 (s, 1H), 3.73 (t, J = 6.0 Hz, 2H), 3.69 – 3.61 (m, 10H), 3.45 (q, J = 17.3 Hz, 4H), 3.39 (t, J = 5.0 Hz, 2H), 3.30 (t, J = 7.5 Hz, 1H), 3.27 – 3.16 (m, 2H), 2.47 (t, J = 6.0 Hz, 2H), 1.73 – 1.59 (m, 2H), 1.59 – 1.47 (m, 4H), 1.46 (s, 9H), 1.45 (s, 18H) |
| ¹³C NMR (101 MHz, CDCl₃) | δ 172.47, 171.50, 170.80, 81.21, 80.81, 70.82, 70.67, 70.58, 70.32, 70.15, 67.45, 65.16, 53.90, 50.78, 39.32, 37.03, 30.22, 28.99, 28.31, 28.22, 28.21, 28.20, 23.27 |
| HRMS (ESI-TOF) (m/z) | calcd for [M + H]⁺ 660.4184; found 660.4192 |
Gal Raviv, Ilan Edelstein, Tali Dadosh, Inna Goliand, Ziv Porat, Alla H. Falkovich, Martín López-Vidal, Leila Motiei, Yaakov Levy, David Margulies. “Engineering receptor-mediated cell-surface mobility with phage-inspired DNA tetrapods.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15006858/v2
| Identifier | 1 |
|---|---|
| NMR reporting reference | Chemical shifts (δ, ppm) are reported relative to tetramethylsilane (TMS) as an internal standard |
| ¹H NMR (400 MHz, D₂O) | δ 4.15 (s, 4H), 4.13 – 4.07 (m, 1H), 3.76 (t, J = 6.1 Hz, 2H), 3.73 – 3.63 (m, 10H), 3.51 – 3.45 (m, 2H), 3.21 (t, J = 6.1 Hz, 2H), 2.50 (t, J = 6.1 Hz, 2H), 2.06 – 1.86 (m, 2H), 1.63 – 1.42 (m, 4H) |
| ¹³C NMR (100 MHz, D₂O) | δ 173.89, 171.40, 169.90, 69.57, 69.54, 69.53, 69.48, 69.19, 67.01, 66.77, 54.33, 50.13, 38.71, 36.04, 27.89, 26.66, 22.94 |
| HRMS (ESI-TOF) (m/z) | calcd for [M + H]⁺ 492.2306; found 492.2297 |
| Identifier | S5 |
|---|---|
| NMR reporting reference | Chemical shifts (δ, ppm) are reported relative to tetramethylsilane (TMS) as an internal standard |
| ¹H NMR (500 MHz, CD₃OD) | δ 3.71 – 3.54 (m, 38H), 3.46 (t, J = 7.5 Hz, 4H), 3.39 – 3.33 (m, 2H), 3.17 (t, J = 6.9 Hz, 6H), 2.49 – 2.35 (m, 8H), 1.77 – 1.63 (m, 6H), 1.47 (s, 27H), 1.46 (s, 54H) |
| ¹³C NMR (125 MHz, MeOD) | δ 172.34, 171.18, 169.83, 81.95, 81.49, 70.23, 70.18, 69.89, 69.74, 68.77, 67.33, 67.01, 65.73, 60.08, 53.63, 50.39, 38.84, 36.23, 29.30, 28.75, 27.08, 27.02, 23.13 |
| HRMS (ESI-TOF) (m/z) | calcd for [M + Na]⁺ 1826.1145; found 1826.1090 |
| Identifier | 2 |
|---|---|
| NMR reporting reference | Chemical shifts (δ, ppm) are reported relative to tetramethylsilane (TMS) as an internal standard |
| ¹H NMR (500 MHz, CD₃OD) | δ 3.75 – 3.59 (m, 38H), 3.51 (t, J = 6.7 Hz, 4H), 3.39 (bs, 2H), 3.25 – 3.18 (m, 6H), 2.50 – 2.39 (m, 8H), 1.88 – 1.77 (m, 3H), 1.76 – 1.64 (m, 6H), 1.64 – 1.42 (m, 12H) |
| ¹³C NMR (100 MHz, MeOD) | δ 168.94, 167.86, 167.03, 165.67, 70.16, 67.38, 65.08, 62.65, 58.55, 50.39, 46.47, 39.01, 29.36, 29.34, 29.06, 22.33, 13.03 |
| HRMS (ESI-TOF) (m/z) | calcd for [M−H]⁻ 1297.5535; found 1297.5542 |
| Identifier | S8 |
|---|---|
| NMR reporting reference | Chemical shifts (δ, ppm) are reported relative to tetramethylsilane (TMS) as an internal standard |
| ¹H NMR (400 MHz, CDCl₃) | δ 1.52 – 1.63 (m, 2H), 1.66 – 1.76 (m, 2H), 2.47 (t, J = 7.3 Hz, 2H), 2.62 (t, J = 5.6 Hz, 2H), 2.73 (t, J = 5.6 Hz, 2H), 3.47 (s, 2H), 3.67 (t, J = 6.9 Hz, 2H), 3.76 (br. s, 6H), 6.44 (s, 1H), 6.51 (s, 1H), 7.63 (dd, J = 5.2, 3.2 Hz, 2H), 7.70 – 7.88 (m, 2H) |
| ¹³C NMR (100 MHz, DMSO-d₆) | δ 23.9, 25.9, 28.3, 37.4, 50.7, 55.1, 55.4, 55.4, 57.1, 109.9, 111.7, 122.9, 125.9, 126.6, 131.6, 134.3, 146.8, 147.1, 167.9 |
| ESI-MS (m/z) | calcd for [M+H]⁺ 395.20; found 395.19 |
| Identifier | S9 |
|---|---|
| NMR reporting reference | Chemical shifts (δ, ppm) are reported relative to tetramethylsilane (TMS) as an internal standard |
| ¹H NMR (400 MHz, DMSO-d₆) | δ 1.61 – 1.71 (m, 2H), 1.84 – 1.94 (m, 2H), 2.81 (t, J = 7.2 Hz, 2H), 3.16 (t, J = 7.2 Hz, 2H), 3.72 (s, 3H), 3.73 (s, 3H), 6.77 (s, 1H), 6.80 (s, 1H) |
| ¹³C NMR (100 MHz, DMSO-d₆) | δ 56.2, 114.3, 120.9, 122.6, 123.4, 131.2, 155.5, 166.4 |
| ESI-MS (m/z) | calcd for [M+H]⁺ 265.18; found 265.21 |
| Identifier | 5 |
|---|---|
| NMR reporting reference | Chemical shifts (δ, ppm) are reported relative to tetramethylsilane (TMS) as an internal standard |
| ¹H NMR (500 MHz, CD₃CN) | δ 1.52 – 1.90 (m, 6H), 1.68 (m, 2H), 1.76 (m, 2H), 2.35 (t, J = 7.1 Hz, 2H), 2.46 (t, J = 7.1 Hz, 2H), 2.83 – 3.02 (m, 6H), 2.96 (t, J = 7.1 Hz, 2H), 3.02 (t, J = 7.1 Hz, 2H), 3.40 (m, 2H), 3.52 (m, 10H), 3.62 (t, J = 7.1 Hz, 2H), 3.75 (s, 3H), 3.75 (s, 3H), 6.88 (s, 1H), 6.97 (s, 1H), ~7.7 (s, 1H) |
| ¹³C NMR (125 MHz, CD₃CN) | δ 14.2, 22.2, 25.4, 27.6, 33.8, 36.0, 41.3, 50.6, 55.2, 56.0, 56.4, 60.7, 68.9, 69.6, 70.2, 70.6, 71.1, 71.8, 112.5, 114.7, 120.5, 122.4, 124, 133.8, 149.4, 150.1, 156.1, 169.0 |
| ESI-MS (m/z) | calcd for [M+H]⁺ 626.37; found 626.37 |
| ESI (m/z), TP1OmpC | calculated: 4794.5; obtained: 4802.5 |
|---|---|
| ESI (m/z), TP2OmpC | calculated: 5456.7; obtained: 5457.7 |
| ESI (m/z), TP3OmpC | calculated: 12779.8; obtained: 12780.9 |
| ESI (m/z), TP4OmpC | calculated: 26475.9; obtained: 26312.8 |
| ESI (m/z), TPtri-NTA | calculated: 13444.1; obtained: 13449.1 |
| ESI (m/z), MPtri-NTA = 1tri-NTA | calculated: 13337.1; obtained: 13265.4 |
| ESI (m/z), MP2OmpC | calculated: 5357.7; obtained: 5342.1 |
| ESI (m/z), MP3OmpC = 1mono-NTA | calculated: 12644.8; obtained: 12460.1 |
| ESI (m/z), TP1FOLR | calculated: 4801.4; obtained: 4849.5 |
| ESI (m/z), TP2FOLR | calculated: 5490; obtained: 5490.4 |
| ESI (m/z), TP3FOLR | calculated: 12789.9; obtained: 12790.1 |
| ESI (m/z), TP4FOLR | calculated: 26482.8; obtained: 26488.2 |
| ESI (m/z), TP1PSMA | calculated: 4708.4; obtained: 4660.5 |
| ESI (m/z), TP2PSMA | calculated: 5396.9; obtained: 5397.2 |
| ESI (m/z), TP3PSMA | calculated: 12696.8; obtained: 12695.6 |
| ESI (m/z), TP4PSMA | calculated: 26389.9; obtained: 26371.4 |
| ESI (m/z), TP1S2R | calculated: 4785.5; obtained: 4848.9 |
| ESI (m/z), TP2S2R | calculated: 5474.1; obtained: 5473.89 |
| ESI (m/z), TP3S2R | calculated: 12774; obtained: 12777.3 |
| ESI (m/z), TP4S2R | calculated: 26467; obtained: 26537.9 |
| ESI (m/z), MP2FOLR | calculated: 5367.3; obtained: 5477.8 |
| ESI (m/z), MP3FOLR | calculated: 12677.8; obtained: 12564.2 |
| ESI (m/z), MP2PSMA | calculated: 5274.3; obtained: 5230.5 |
| ESI (m/z), MP3PSMA | calculated: 12584.7; obtained: 12695.6 |
| ESI (m/z), MP2S2R | calculated: 5351.4; obtained: 5533.3 |
| ESI (m/z), MP3S2R | calculated: 12661.8; obtained: 12671.6 |
| ESI (m/z), GQ2 | calculated: 4848.4; obtained: 4848.7 |
| ESI (m/z), GQ3 | calculated: 12145.5; obtained: 12148.6 |
| ESI (m/z), FAM-TP3FOLR | calculated: 12851.4; obtained: 12865 |
| ESI (m/z), Cy3-TP3PSMA | calculated: 12696.8; obtained: 12695.6 |
| ESI (m/z), Cy5-TP3S2R | calculated: 12801.02; obtained: 12801.07 |
| ESI (m/z), ASO-TP2FOLR | calculated: 16,757.6; obtained: 16,535.1 |
| ESI (m/z), ASO-TP3FOLR | calculated: 24,201.7; obtained: 24203.5 |
| ESI (m/z), ASO-TP2PSMA | calculated: 16,664.5; obtained: 16,590.6 |
| ESI (m/z), ASO-TP3PSMA | calculated: 24042.3; obtained: 24067.1 |
| ESI (m/z), ASO-TP2S2R | calculated: 16741.6; obtained: 16490.7 |
| ESI (m/z), ASO-TP3S2R | calculated: 24,185.82; obtained: 24,187.66 |
| ESI (m/z), ASO-MP2FOLR | calculated: 16559.2; obtained: 16559.6 |
| ESI (m/z), ASO-MP3FOLR | calculated: 23920.5; obtained: 23869.9 |
| ESI (m/z), ASO-MP2PSMA | calculated: 16466.2; obtained: 16467.2 |
| ESI (m/z), ASO-MP3PSMA | calculated: 23827.5; obtained: 23764.5 |
| ESI (m/z), ASO-MP2S2R | calculated: 16543.3; obtained: 16432.9 |
| ESI (m/z), ASO-MP3S2R | calculated: 23904.6; obtained: 23936.1 |
| ESI (m/z), ASO-GQ2 | calculated: 16,197.9; obtained: 16116.3 |
| ESI (m/z), ASO-GQ3 | calculated: 23494.1; obtained: 23560.4 |
| ESI (m/z), scrASO-TP3FOLR | calculated: 23664.7; obtained: 23667.7 |
| ESI (m/z), scrASO-TP3PSMA | calculated: 23648.5; obtained: 23,826.4 |
| ESI (m/z), scrASO-TP3S2R | calculated: 23571.1; obtained: 23218.1 |