Name: p-SCN-Bn-HOPO
Rating: 5 (10 reviews)

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HIT ID:HIT212717833
Cas No:1822331-55-4
常用名:p-SCN-Bn-HOPO
IUPAC:1-hydroxy-N-{3-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{4-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{3-[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)formamido]propyl}formamido]butyl}formamido]propyl}-N-[2-(4-isothiocyanatophenyl)ethyl]-6-oxo-1,6-dihydropyridine-2-carboxamide
IUPAC:1-hydroxy-N-{3-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{4-[1-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)-N-{3-[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)formamido]propyl}formamido]butyl}formamido]propyl}-N-[2-(4-isothiocyanatophenyl)ethyl]-6-oxo-1,6-dihydropyridine-2-carboxamide
InChI key:WHWUNEASNJESIC-UHFFFAOYSA-N

分子式:C43H45N9O12S
分子量:911.94
氢键供体数 (HBD):5
氢键受体数 (HBA):13
LogP:0.12081531
SMILES:On1c(cccc1=O)C(=O)NCCCN(CCCCN(CCCN(CCc1ccc(cc1)N=C=S)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O
SMILES:On1c(cccc1=O)C(=O)NCCCN(CCCCN(CCCN(CCc1ccc(cc1)N=C=S)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O

p-SCN-Bn-HOPO is an excellent bifunctional chelating agent for (89)Zr ImmunoPET, with low background, good tumor-organ contrast, and importantly, very low bone uptake for BT474 breast cancer imaging.

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