For research use only. Not for therapeutic Use.
p-SCN-Bn-HOPO (Cat No.:I035149) is a chelating agent and bifunctional ligand widely used in coordination chemistry. It features a hydroxypyridinone (HOPO) moiety with a para-substituted benzyl isothiocyanate (SCN-Bn) group. This compound exhibits exceptional metal chelation properties, particularly with trivalent metal ions like lanthanides and actinides. Its structure enables the formation of stable complexes with metal ions, making it valuable in various applications such as radiopharmaceuticals, imaging agents, and metal ion extraction. p-SCN-Bn-HOPO is a versatile compound that contributes to advancements in fields where precise metal ion coordination is crucial.
| Catalog Number | I035149 |
| CAS Number | 1822331-55-4 |
| Synonyms | p-SCN-Bn-HOPO; |
| Molecular Formula | C43H45N9O12S |
| Purity | 98% |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| IUPAC Name | 1-hydroxy-N-(3-(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamido)propyl)-N-(4-(1-hydroxy-N-(3-(1-hydroxy-N-(4-isothiocyanatophenethyl)-6-oxo-1,6-dihydropyridine-2-carboxamido)propyl)-6-oxo-1,6-dihydropyridine-2-carboxamido)butyl)-6-oxo-1,6-dihydropyridine-2-carboxamide |
| InChI | InChI=1S/C43H45N9O12S/c53-36-13-3-9-32(49(36)61)40(57)44-22-7-25-46(41(58)33-10-4-14-37(54)50(33)62)23-1-2-24-47(42(59)34-11-5-15-38(55)51(34)63)26-8-27-48(43(60)35-12-6-16-39(56)52(35)64)28-21-30-17-19-31(20-18-30)45-29-65/h3-6,9-20,61-64H,1-2,7-8,21-28H2,(H,44,57) |
| InChIKey | WHWUNEASNJESIC-UHFFFAOYSA-N |
| SMILES | O=C(C1=CC=CC(N1O)=O)N(CCCN(C(C2=CC=CC(N2O)=O)=O)CCCCN(C(C3=CC=CC(N3O)=O)=O)CCCNC(C4=CC=CC(N4O)=O)=O)CCC5=CC=C(N=C=S)C=C5 |
| Reference | 1: Deri MA, Ponnala S, Kozlowski P, Burton-Pye BP, Cicek HT, Hu C, Lewis JS, |
