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CAS 102650-30-6

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1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid

Description:
1-(4-Isothiocyanatobenzyl)diethylenetriaminepentaacetic acid (CAS 102650-30-6) is a complex organic compound characterized by its multifunctional chelating properties. It features a diethylenetriamine backbone, which allows it to form stable complexes with metal ions, making it useful in various applications, including radiopharmaceuticals and metal ion detection. The presence of the isothiocyanate group enhances its reactivity, enabling it to participate in conjugation reactions with biomolecules, such as proteins or antibodies, facilitating targeted delivery systems in biomedical research. Additionally, the pentacarboxylic acid moiety contributes to its solubility in aqueous environments and its ability to interact with biological systems. This compound is typically utilized in the fields of medicinal chemistry, bioconjugation, and analytical chemistry due to its unique structural features and functional capabilities. Its stability, reactivity, and chelating ability make it a valuable tool in both research and potential therapeutic applications.
Formula:C22H28N4O10S
InChI:InChI=1/C22H28N4O10S/c27-18(28)9-24(5-6-25(10-19(29)30)11-20(31)32)8-17(26(12-21(33)34)13-22(35)36)7-15-1-3-16(4-2-15)23-14-37/h1-4,17H,5-13H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t17-/m0/s1
InChI key:VAOYPHGXHKUTHC-KRWDZBQOSA-N
SMILES:c1cc(ccc1C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N=C=S
Synonyms:
  • Scn-Bz-dtpa
  • Glycine, N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)-1-((4-isothiocyanatophenyl)methyl)ethyl)-N-(carboxymethyl)-, (S)-
  • N-{2-[bis(carboxymethyl)amino]ethyl}-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine
Found 2 products.