Synthesis and automated fluorine‐18 radiolabeling of new PSMA‐617 derivatives with a CuAAC radiosynthetic approach

Figure S1: 1H-NMR of Compound 4

Figure S2: 13C-NMR of Compound 4

Figure S3: HSQC-NMR of Compound 4

Figure S4: 1H-NMR of Compound 6

Figure S5: 13C-NMR of Compound 6

Figure S6: HSQC-NMR of Compound 6

Figure S7: 1H-NMR of Compound 7

Figure S8: 13C-NMR of Compound 7

Figure S9: COSY-NMR of Compound 7

Figure S10: HSQC-NMR of Compound 7

Figure S11: 1H-NMR of Compound 8

Figure S12: 13C-NMR of Compound 8

Figure S13: COSY-NMR of Compound 8

Figure S14: HSQC-NMR of Compound 8

Figure S15: 1H-NMR of Compound 9

Figure S16: 13C-NMR of Compound 9

Figure S17: COSY-NMR of Compound 9

Figure S18: HSQC-NMR of Compound 9

Figure S19: 1H-NMR of Compound 10

Figure S20: 13C-NMR of Compound 10

Figure S21: COSY-NMR of Compound 10

Figure S22: HSQC-NMR of Compound 10

Figure S23: 1H-NMR of Compound 11

Figure S24: 13C-NMR of Compound 11

Figure S25: COSY-NMR of Compound 11

Figure S26: HSQC-NMR of Compound 11

Figure S27: 1H-NMR of Compound 14

Figure S28: 13C-NMR of Compound 14

Figure S29: COSY-NMR of Compound 14

Figure S30: HSQC-NMR of Compound 14

Figure S31: Analytical RP-HPLC Crude compound 11. Column: XTerra C18 5μm, 250x4.6 mm; water +0.1%TFA/acetonitrile +0.1%TFA gradient from 70:30 to 50:50 in 20 min, gradient from 50:50 to 20:80 in 2 min; 1 ml/min, 220 nm, UV detector.

Figure S32: Analytical RP-HPLC Pure compound 11. Column: XTerra C18 5μm, 250x4.6 mm; water +0.1%TFA/acetonitrile +0.1%TFA gradient from 70:30 to 50:50 in 20 min, gradient from 50:50 to 20:80 in 2 min; 1 ml/min, 220 nm, UV detector.

Figure S34: Analytical RP-HPLC Crude compound 14. Column: XTerra C18 5μm, 250x4.6 mm; water +0.1%TFA/acetonitrile +0.1%TFA gradient from 70:30 to 20:80 in 25 min; 1 ml/min, 220 nm, UV detector.

Figure S35: Analytical RP-HPLC Pure compound 14. Column: XTerra C18 5μm, 250x4.6 mm; water +0.1%TFA/acetonitrile +0.1%TFA gradient from 70:30 to 20:80 in 25 min; 1 ml/min, 220 nm, UV detector.

Figure S36: Analytical RP-HPLC Crude compound [18F]13. Column: XTerra C18 5μm, 250x4.6 mm; water/acetonitrile gradient from 60:40 to 20:80 in 20 min; 1 ml/min, 220 nm, UV detector.

Figure S37: Analytical RP-HPLC Pure compound [18F]13. Column: XTerra C18 5μm, 250x4.6 mm; water/acetonitrile gradient from 60:40 to 20:80 in 20 min; 1 ml/min, 220 nm, UV detector.

Figure S38: Analytical RP-HPLC Crude compound [18F]14. Time reaction 20 min. Column: XTerra C18 5μm, 250x4.6 mm; water +0.1%TFA/acetonitrile +0.1%TFA gradient from 70:30 to 20:80 in 25 min; 1 ml/min, 220 nm, UV detector.

Figure S39: Analytical RP-HPLC Pure compound [18F]14. Time reaction 10 min. Column: XTerra C18 5μm, 250x4.6 mm; water +0.1%TFA/acetonitrile +0.1%TFA gradient from 70:30 to 20:80 in 25 min; 1 ml/min, 220 nm, UV detector.

Figure S40: Analytical RP-HPLC Pure compound [18F]14. Column: XTerra C18 5μm, 250x4.6 mm; water +0.1%TFA/acetonitrile +0.1%TFA gradient from 70:30 to 20:80 in 25 min; 1 ml/min, 220 nm, UV detector.

Figure S41: MS (m/z) (ESI+) of Compound 4

Figure S42: MS2 (m/z) (ESI+) of Compound 4

Figure S43: MS (m/z) (ESI+) of Compound 6

Figure S44: MS2 (m/z) (ESI+) of Compound 6

Figure S45: MS (m/z) (ESI+) of Compound 7

Figure S46: MS2 (m/z) (ESI+) of Compound 7

Figure S47: MS (m/z) (ESI+) of Compound 8

Figure S48: MS2 (m/z) (ESI+) of Compound 8

Figure S49: MS (m/z) (ESI+) of Compound 9

Figure S50: MS2 (m/z) (ESI+) of Compound 9

Figure S51: MS (m/z) (ESI+) of Compound 10

Figure S52: MS (m/z) (ESI+) of Compound 11

Figure S53: MS2 (m/z) (ESI+) of Compound 11

Figure S54: MS (m/z) (ESI+) of Compound 14

Figure S55: MS2 (m/z) (ESI+) of Compound 14

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